The Batista Group

Publications

  1. J. Chem. Theory Comput xx: xxx-xxx (2018) Classical Optimal Control for Energy Minimization Based On Diffeomorphic Modulation Under Observable-Response-Preserving Homotopy, by Soley, M, Markmann, A, Batista, V

  2. Angew. Chem. Int. Ed 57: 1-5 (2018) Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74, by Pantouris G, Ho J, Shah D, Syed MA, Leng L, Bhandari V, Bucala R, Batista VS, Loria JP, Lolis E

  3. Proc. Natl. Acad. Sci. USA xx: 1091-6490 (2018) Molecular Mechanism of Activation of Human Musk Receptors OR5AN1 and OR1A1 by (R)-muscone and Diverse Other Musk-Smelling Compounds, by Lucky Ahmeda, Yuetian Zhangb, Eric Blockc, Michael Buehld, Michael J. Corrd, Rodrigo A. Cormaniche, Sivaji Gundalac, Hiroaki Matsunamif, David O’Hagand, Mehmet Ozbila, Yi Panb, Sivakumar Sekharana, Nicholas Tena, Mingan Wangh, Mingyan Yangd, Qingzhi Zhangd, Ruina Zhangb, Victor S. Batistaa, and Hanyi Zhuan

  4. Chem. Senses 00: 00-10 (2018) A Multispecific Investigation of the Metal Effect in Mammalian Odorant Receptors for Sulfur-Containing Compounds, by Ruina Zhang, Yi Pan, Lucky Ahmed, Eric Block, Yuetian Zhang, Victor S. Batista, Hanyi Zhuang

  5. J. Am. Chem. Soc. 140(15): 5290-5299 (2018) Phenothiazine Radical Cation Excited States as Super-oxidants for Energy Demanding Reactions, by Joseph A. Christensen, Brian T Phelan, Subhajyoti Chaudhuri, Atanu Acharya, Victor S. Batista, and Michael R. Wasielewski

  6. Org. Biomol. Chem 16: 2541-2548 (2018) Carbon Chain Shape Selectivity by the Mouse Olfactory Receptor OR-I7, by Min Ting Liu, Jianghai Ho, Jason K. Liu, Radhanath Purakait, Uriel N. Morzan, Lucky Ahmed, Victor S. Batista, Hiroaki Matsunami, Kevin Ryan

  7. Proc. Natl. Acad. Sci. USA 115(12): 2902-2907 (2018) Stable Iridium Dinuclear Heterogeneous Catalysts Supported on Metal-Oxide Substrate for Solar Water Oxidation, by Yanyan Zhao, Ke R. Yang, Zechao Wang, Xingxu Yan, Sufeng Cao, Yifan Ye, Qi Dong, Xizi Zhang, James E. Thorne, Lei Jin, Kelly L. Materna, Antonios Trimpalis, Hongye Bai, Sirine C. Fakra, Xiaoyan Zhong, Peng Wang, Xiaoqing Pan, Jinghua Guo, Maria Flytzani-Stephanopoulos, Gary W. Brudvig, Victor S. Batista and Dunwei Wang

  8. J. Phys. Chem. C. xxx: xxxx-xxxx (2018) Dopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals, by Aimin Ge, Pablo E. Videla, Benjamin Rudshteyn, Qiliang Liu, Victor S. Batista, and Tianquan Lian

  9. Nat. Comm. 9: 924 (2018) Nitrogen-Doped Tungsten Carbide Nanoarray as an Efficient Bifunctional Electrocatalyst for Water Splitting in Acid, by Nana Han, Ke R. Yang, Zhiyi Lu, Yingjie Li, Wenwen Xu, Tengfei Gao, Zhao Cai, Ying Zhang, Victor S. Batista, Wen Liu, Xiaoming Sun

  10. Coord. Chem. Rev. 361: 98-119 (2018) Photoexcited Radical Anion Super-Reductants for Solar Fuels Catalysis, by Nathan T. La Porte, Jose F. Martinez, Subhajyoti Chaudhuri, Svante Hedström, Victor S. Batista, Michael R. Wasielewski

  11. ACS Appl. Mater. Interfaces 10(10): 8574-8584 (2018) Investigating the Role of Copper Oxide in Electrochemical CO2 Reduction in Real Time, by Lily Mandal, Ke R. Yang, Mallikarjuna Rao Motapothula, Dan Ren, Peter Lobaccaro, Abhijeet Patra, Matthew Sherburne, Victor S. Batista, Boon Siang Yeo, Joel W. Ager, Jens Martin, and Thirumalai Venkatesan

  12. J. Chem. Theory Comput. 14(3): 1198-1205 (2018) Floquet Study of Quantum Control of the cis-trans Photoisomerization of Rhodopsin, by Pablo E. Videla, Andreas Markmann, Victor S. Batista

  13. J. Phys. Chem. C. xxx: xxxx-xxxx (2018) Direct Interfacial Electron Transfer from High-Potential Porphyrins into Semiconductor Surfaces: A Comparison of Linkers and Anchoring Groups, by Jianbing Jiang, Jacob A. Spies, John R. Swierk, Adam J. Matula, Kevin P. Regan, Neyen Romano, Bradley J. Brennan, Robert H. Crabtree,Victor S. Batista, Charles A. Schmuttenmaer, Gary W. Brudvig

  14. Nat. Comm. 9: 415 (2018) Active Sites of Copper-Complex Catalytic Materials for Electrochemical Carbon Dioxide Reduction, by Zhe Weng, Yueshen Wu, Maoyu Wang, Jianbing Jiang, Ke Yang, Shengjuan Huo, Xiao-Feng Wang, Qing Ma, Gary W. Brudvig, Victor S. Batista, Yongye Liang, Zhenxing Feng and Hailiang Wang

  15. J. Am. Chem. Soc. 140: 1824-1833 (2018) Hydrophobic CuO Nanosheets Functionalized with Organic Adsorbates, by Yulian He, Zachary S. Fishman, Ke R. Yang, Brandon Ortiz, Chaolun Liu, Julia Goldsamt, Victor S. Batista, Lisa D. Pfefferle

  16. J. Chem. Theory Comput. 14: 867-876 (2018) Can TDDFT Describe Excited Electronic States of Naphthol Photoacids? A Closer Look with EOM-CCSD, by Atanu Acharya, Subhajyoti Chaudhuri, and Victor S. Batista

  17. J. Phys. Chem. C. (A&B) 121: 28212-282130 (2017) Is the Supporting Information the Venue for Reproducibility and Transparency?, by Benjamin Rudshteyn, Atanu Acharya, Victor S. Batista

  18. Int. J. Quant. Chem. 118: e25555 (2017) Mechanistic Study of CO/CO2 Conversion Catalyzed by a Biomimetic Ni(II)-Iminothiolate Complex, by Yueshen Wu, Benjamin Rudshteyn, Ingolf Warnke, Dequan Xiao and Victor S. Batista

  19. J. Phys. Chem. Lett. 9: 406-412 (2018) Electron-Hole-Pair-Induced Vibrational Energy Relaxation of Rhenium Catalysts on Gold Surfaces, by Aimin Ge, Benjamin Rudshteyn, Jingyi Zhu, Reinhard J. Maurer, Victor S. Batista, and Tianquan Lian
    (additional information)

  20. Dalton Trans. 46: 16089-16095 (2017) Characterization of Ammonia Binding to the Second Coordination Shell of the Oxygen-Evolving Complex of Photosystem II, by Manoj Mandal, Mikhail Askerka, Gourab Banerjee, Muhammed Amin, Gary W. Brudvig, Victor S. Batista and Marilyn R. Gunner

  21. J. Chem. Theory Comput. 13: 6000-6009 (2017) Electron Transfer Assisted by Vibronic Coupling from Multiple Modes, by Subhajyoti Chaudhuri, Svante Hedström, Dalvin D. Méndez-Hernández, Heidi Phillips Hendrickson, Kenneth Albert Jung, Junming Ho, and Victor S. Batista

  22. J. Am. Chem. Soc. 139: 16466-16469 (2017) Thousandfold Enhancement of Photoreduction Lifetime in Re(bpy)(CO)3 via Spin-Dependent Electron Transfer from a Perylene-diimide Radical Anion Donor, by Svante Hedström, Subhajyoti Chaudhuri, Nathan T. La Porte, Benjamin Rudshteyn, Jose F. Martinez, Michael R. Wasielewski, and Victor S. Batista

  23. Nat. Mater. 16: 1216-1224 (2017) Robust Resistive Memory Devices Using Solution-Processable Metal-Coordinated Azo Aromatics, by Sreetosh Goswami, Adam J. Matula, Santi P. Rath, Svante Hedström, Surajit Saha, Meenakshi Annamalai, Debabrata Sengupta, Abhijeet Patra, Siddhartha Ghosh, Hariom Jani, Soumya Sarkar, Mallikarjuna Rao Motapothula, Christian A. Nijhuis, Jens Martin, Sreebrata Goswami, Victor S. Batista, and T. Venkatesan
    (additional information)

  24. Protein Sci. 26: 2410-2416 (2017) On the Relationship Between Cumulative Correlation Coefficients and the Quality of Crystallographic Data Sets, by Jimin Wang, Gary W. Brudvig, Victor S. Batista and Peter B. Moore
    (highlight slide)

  25. J. Phys. Chem. C 121: 22690–22699 (2017) Linker Length-Dependent Electron-Injection Dynamics of Trimesitylporphyrins on SnO2 Films, by Shin Hee Lee, Kevin P. Regan, Svante Hedström, Adam J. Matula, Subhajyoti Chaudhuri, Robert H. Crabtree, Victor S. Batista, Charles A. Schmuttenmaer and Gary W. Brudvig

  26. J. Phys. Chem. B 121: 9382-9388 (2017) XFEL Radiation Damage Through the S-State Cycle of the Oxygen-Evolving Complex of Photosystem II, by Muhamed Amin, Mikhail Askerka, Victor S. Batista, Gary W. Brudvig, Marilyn R. Gunner

  27. ACS Energy 2: 2299-2306 (2017) Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II, by Jimin Wang, Mikhail Askerka, Gary W. Brudvig, Victor S. Batista
    (highlight slide)

  28. J. Am. Chem. Soc. 139: 12907-12910 (2017) Electronic π-delocalization Boosts Catalytic Water Oxidation by Cu(II) Molecular Catalysts Heterogenized on Graphene Sheets, by Pablo Garrido-Barros, Carolina Gimbert-Suriñach, Dooshaye Moonshiram, Antonio Picón, Pere Monge, Victor S. Batista, and Antoni Llobet

  29. J. Phys. Chem. C 121: 19053-19062 (2017) Charge Transport and Rectification in Donor-Acceptor Dyads, by Svante Hedström, Adam J. Matula, Victor S. Batista

  30. Nanoscale 9: 12984-12995 (2017) Hard Templating Ultrathin Polycrystalline Hematite Nanosheets: Effect of Nano-dimension on CO2 to CO Conversion via the Reverse Water Shift Reaction, by Zachary S. Fishman, Yulian He, Ke R. Yang, Amanda Lounsbury, Junqing Zhu, Thanh Minh Tran, Julie B. Zimmerman, Victor S. Batista, Lisa D. Pfefferle
    (additional information)

  31. J. Phys. Chem. C 121: 18674-18682 (2017) Interfacial Structure and Electric Field Probed by in situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling, by Aimin Ge, Pablo E. Videla, Gwendolynne L. Lee, Benjamin Rudshteyn, Jia Song, Clifford P. Kubiak, Victor S. Batista, and Tianquan Lian

  32. J. Phys. Chem. C 121: 14222-14227 (2017) Mechanistic Insights into Surface Chemical Interactions between Lithium Polysulfides and Transition Metal Oxide, by Yiren Zhong, Ke R. Yang, Wen Liu, Peng He, Victor S. Batista, and Hailiang Wang

  33. J. Am. Chem. Soc. 139: 16028-16031 (2017) Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9, by Giulia Palermo, Clarisse G. Ricci, Amendra Fernando, Rajshekhar Basak, Martin Jinek, Ivan Rivalta, Victor S. Batista, and J. Andrew McCammon

  34. ACS Catalysis 7: 6134-6143 (2017) Thermodynamic and Structural Factors that Influence the Redox Potentials of Tungsten-Alkylidyne Complexes, by Benjamin Rudshteyn, Hunter B. Vibbert, Richard May, Eric Wasserman, Ingolf Warnke, Michael D. Hopkins, and Victor S. Batista

  35. ACS Catalysis 7: 5282-5288 (2017) Electrode-Ligand Interactions Dramatically Enhance CO2 Conversion to CO by the [Ni(cyclam)](PF6)2 Catalyst, by Yueshen Wu, Benjamin Rudshteyn, Almagul Zhanaidarova, Jesse D. Froehlich, Wendu Ding, Clifford P. Kubiak, and Victor S. Batista.

  36. J. Chem. Theory Comput. 13: 4034-4042 (2017) The TT-SOFT Method: Multidimensional Nonadiabatic Quantum Dynamics, by Samuel M. Greene and Victor S. Batista.

  37. Angew. Chem. Int. Ed. 56: 9111-9115 (2017) Molecular Antimony Complexes for Electrocatalysis: Activity of a Main Group Element in Proton Reduction, by Jianbing Jiang, Kelly L. Materna, Svante Hedström, Ke R. Yang, Robert H. Crabtree, Victor S. Batista, and Gary W. Brudvig.

  38. J. Mat. Chem. A 121: 14484-14497 (2017) Interfacial Electron Transfer Followed by Photooxidation in N,N-Bis(p-anisole)aminopyridine-Aluminum(III) Porphyrin-Titanium(IV) Oxide Self-Assembled Photoanodes, by Gary N. Lim, Svante Hedström, Kenneth A. Jung, Pierce A. D. Smith, Victor S. Batista, Francis D'Souza, Art van der Est and Prashanth K. Poddutoori.

  39. Proc. Natl. Acad. Sci. USA 114: E5513-E5521 (2017) Triplet-Triplet Energy Transfer in Artificial and Natural Photosynthetic Antennas, by Junming Ho, Elizabeth Kish, Dalvin D. Méndez-Hernández, Katherine WongCarter, Smitha Pillai, Gerdenis Kodis, Jens Niklas, Oleg G. Poluektov, Devens Gust, Thomas A. Moore, Ana L. Moore, Victor S. Batista, Bruno Robert.
    (additional information)

  40. Protein Sci. 26:1692-1697 (2017) Effects of Aligned α-Helix Peptide Dipoles on Experimental Electrostatic Potentials, by Jimin Wang, Pablo E. Videla and Victor S. Batista.

  41. J. Chem. Phys. 146: 215104 (2017) Probing the Remarkable Thermal Kinetics of Visual Rhodopsin with E181Q and S186A Mutants, by Ying Guo, Heidi P. Hendrickson, Pablo E. Videla, Ya-Na Chen, Junming Ho, Sivakumar Sekharan, Victor S. Batista, John C. Tully, Elsa C. Yan

  42. J. Phys. Chem. C 2017: 11985-11990 (2017) Inferring Protonation States of Hydroxamate Adsorbates on TiO2 Surfaces, by Benjamin Rudshteyn, Christian F.A. Negre, Robson S. Oliboni, Adriano Monti, Jeffrey Chen, Robert H. Crabtree, Luis G.C. Rego, Victor S. Batista.

  43. Nat. Prod. Rep. 34: 529-557 (2017) The Role of Metals in Mammalian Olfaction of Low Molecular Weight Organosulfur Compounds, by Eric Block, Victor S. Batista, Hiroaki Matsunami, Hanyi Zhuang, Lucky Ahmed.

  44. Chem. Phys. Lett. 683:49-56 (2017) Ultrafast Photo-Induced Charge Transfer of 1-Naphthol and 2-Naphthol to Halocarbon Solvents, by Subhajyoti Chaudhuri, Benjamin Rudshteyn, Mirabelle Prémont-Schwarz, Dina Pines, Ehud Pines, Dan Huppert, Erik T.J. Nibbering, Victor S. Batista.

  45. Proc. Natl. Acad. Sci. USA 114: 3414-3423 (2017) Altering the Allosteric Pathway in IGPS Suppresses Millisecond Motions and Catalytic Activity, by George P. Lisi, Kyle W. East, Victor S. Batista and J. Patrick Loria.

  46. Chem. Sci. 8: 3821-3831 (2017) Photoinduced Electron Transfer from Rylenediimide Radical Anions and Dianions to Re(Bpy)(CO)2 Using Red and Near-Infrared Light, by Nathan T. La Porte, Jose F. Martinez, Svante Hedström, Benjamin Rudshteyn, Brian T. Phelan, Catherine M. Mauck, Ryan M. Young, Victor S. Batista and Michael R. Wasielewski.

  47. Proc. Natl. Acad. Sci. USA 114: 3578-3583 (2017) Ultrathin Dendrimer-Graphene Oxide Composite Film for Stable Cycling Lithium-Sulfur Batteries, by Wen Liu, Jianbing Jiang, Ke R. Yang, Yingying Mi, Piranavan Kumaravadivel, Yiren Zhong, Qi Fan, Zhe Weng, Zishan Wu, Judy J. Cha, Henghui Zhou, Victor S. Batista, Gary W. Brudvig and Hailiang Wang.

  48. Inorg. Chem. 56: 3214-3226 (2017) Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes, by John K. Nganga, Christian R. Samanamu, Joseph M. Tanski, Carlos Pacheco, Cesar Saucedo, Victor S. Batista, Kyle A. Grice, Mehmed Z. Ertem, and Alfredo M. Angeles-Boza.

  49. Chem. Phys. Lett. 683: 199-204 (2017) Orientations of Nonlocal Vibrational Modes from Combined Experimental and Theoretical Sum Frequency Spectroscopy, by Hilary M. Chase, Shunli Chen, Li Fu, Mary A. Upshur, Benjamin Rudshteyn, Regan J. Thomson, Hong-Fei Wang, Regan J. Thomson, Victor S. Batista, and Franz M. Geiger.

  50. J. Phys. Chem. B 121: 1020-1025 (2017) Energetics of the S2 State Spin Isomers of the Oxygen-Evolving Complex of Photosystem II, by David J. Vinyard, Sahr Khan, Mikhail Askerka, Victor S. Batista and Gary W. Brudvig.
    (additional information) (highlight slide)

  51. ACS Energy 2: 397-407 (2017) Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X-ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models, by Jimin Wang, Mikhail Askerka, Gary W. Brudvig, and Victor S. Batista.

  52. J. Phys. Chem. A 121: 3239-3246 (2017) Unanticipated Stickiness of α-Pinene, by Hilary M. Chase, Junming Ho, Mary A. Upshur, Regan J. Thomson, Victor S. Batista, and Franz M. Geiger.

  53. Biochemistry 56: 96-106 (2017) Characterization of PTP1B Inhibition by Chlorogenic Acid and Cichoric Acid, by James M. Lipchock, Heidi P. Hendrickson, Bonnie B. Douglas, Kelly E. Bird, Patrick S. Ginther, Ivan Rivalta, Nicholas S. Ten, Victor S. Batista and J. Patrick Loria.

  54. Acc. Chem. Res. 50, 41-48 (2017) The O2-Evolving Complex of Photosystem II: Recent Insights from QM/MM, EXAFS and Femtosecond X-ray Crystallography Data, by Mikhail Askerka, Gary W. Brudvig and Victor S. Batista.
    (highlight slide)

  55. Chem. Sci. 8: 1642-1652 (2017) A Full Set of Iridium(IV) Pyridine-Alkoxide Stereoisomers: Highly Geometry-Dependent Redox Properties, by Dimitar Y. Shopov, Benjamin Rudshteyn, Jesús Campos, David J. Vinyard, Victor S. Batista, Gary W. Brudvig, Robert H. Crabtree.

  56. J. Phys. Chem. 120: 28971-28982 (2016) High-Potential Porphyrins Supported on SnO2 and TiO2 Surfaces for Photoelectrochemical Applications, by Jianbing Jiang, John R. Swierk, Kelly L. Materna, Svante Hedström, Shin Hee Lee, Robert H. Crabtree, Charles A. Schmuttenmaer, Victor S. Batista, Gary W. Brudvig.

  57. Biochemistry 55: 6484-6494 (2016) Allosteric Communication Disrupted by Small Molecule Binding to the Imidazole Glycerol Phosphate Synthase Protein-Protein Interface, by Ivan Rivalta, George P. Lisi, Ning-Shiuan Snoeberger, Gregory Manley, J. Patrick Loria and Victor S. Batista.
    (additional information)

  58. Proc. Int. Conference on Ultrafast Phenomena XX. Optical Society of America (2016) Ultrafast Photoinduced Charge Transfer of 1-Naphthol and 2-Naphthol Photoacids to Halogenated Solvents, by Mirabelle Prémont-Schwarz, Subhajyoti Chaudhuri, Dina Pines, Ehud Pines, Dan Huppert, Victor S. Batista, and Erik T.J. Nibbering.

  59. Angew. Chem. Int. Ed. 128: 15038-15042 (2016) Ferrocene-Promoted Long-Cycle Lithium-Sulfur Batteries, by Yingying Mi, Wen Liu, Ke R. Yang, Jianbing Jiang, Qi Fan, Zhe Weng, Yiren Zhong, Zishan Wu, Gary W. Brudvig, Victor S. Batista, Henghui Zhou, and Hailiang Wang.

  60. J. Am. Chem. Soc. 138: 13281-13288 (2016) Smelling Sulfur: Copper and Silver Regulate the Response of Human Odorant Receptor OR2T11 to Low Molecular Weight Thiols, by Shengju Li, Lucky Ahmed, Ruina Zhang, Yi Pan, Hiroaki Matsunami, Jessica L. Burger, Eric Block,Victor S. Batista, and Hanyi Zhuang.
    (additional information)

  61. ACS Biomat Sci Eng 2: 1856-1861 (2016) Fabrication of Modularly Functionalizable Microcapsules Using Protein-Based Technologies, by Ashley C. Schloss, Wei Liu, Danielle M. Williams, Gilad Kaufman, Heidi P. Hendrickson, Benjamin Rudshteyn, Li Fu, Hongfei Wang, Victor S. Batista, Chinedum Osuji, Elsa C. Y. Yan, and Lynne Regan.
    (additional information)

  62. ChemCatChem 8: 3453-3457 (2016) Formate to Oxalate: A Crucial Step for Conversion of CO2 into Multi-Carbon Compounds, by Prasad S. Lakkaraju, Mikhail Askerka, Heidie Beyer, Charles T. Ryan, Tabbetha Dobbins, Christopher Bennett, Jerry J. Kaczur, and Victor S. Batista.
    (additional information)

  63. Nanoscale 8: 16357-16362 (2016) Controlling The Rectification Properties of Molecular Junctions Through Molecule-Electrode Coupling, by Matthieu Koepf, Christopher Koenigsmann, Wendu Ding, Arunbah Batra, Christian F.A. Negre, Latha Venkataraman, Gary W. Brudvig, Victor S. Batista, Charles A. Schmuttenmaer, Robert H. Crabtree.

  64. J. Phys. Chem. C 120: 20006-20015 (2016) Hot Hole Hopping in a Polyoxotitanate Cluster Terminated with Catechol Electron Donors, by Jian-Hua Bao, Lars Gundlach, Zhihao Yu, Jason B. Benedict, Robert C. Snoeberger, Victor S. Batista, Philip Coppens, and Piotr Piotrowiak.

  65. J. Am. Chem. Soc. 138: 10978-10985 (2016) Fundamental Role of Oxygen Stoichiometry in Controlling the Band Gap and Reactivity of Cupric Oxide Nanosheets, by Zachary S. Fishman, Benjamin Rudshteyn, Yulian He, Bolun Liu, Subhajyoti Chaudhuri, Mikhail Askerka, Gary L. Haller, Victor S. Batista, Lisa D. Pfefferle.

  66. Biochemistry 55: 4432-4436 (2016) Ammonia Binding in the Second Coordination Sphere of the Oxygen-Evolving Complex of Photosystem II, by David J. Vinyard, Mikhail Askerka, Richard J. Debus, Victor S. Batista and Gary W. Brudvig.
    (highlight slide)

  67. Inorg. Chem. 55: 8121-8129 (2016) An Organometallic Iridium Complex Containing a Dianionic, Tridentate, Mixed Organic-Inorganic Ligand, by Aaron J. Bloomfield, Adam Matula, Brandon Q. Mercado, Victor S. Batista and Robert H. Crabtree.

  68. ACS Catalysis 6: 5371-5377 (2016) Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor, by Kelly L. Materna, Benjamin Rudshteyn, Bradley J. Brennan, Morgan H. Kane, Aaron J. Bloomfield, Daria L. Huang, Dimitar Y. Shopov, Victor S. Batista, Robert H. Crabtree, and Gary W. Brudvig.

  69. Phys. Rev. B 94 (11), 115432 (2016) Ab-Initio Tensorial Electronic Friction for Molecules on Metal Surfaces: Nonadiabatic Vibrational Relaxation, by Reinhard J. Maurer, Mikhail Askerka, Victor S. Batista and John C. Tully.

  70. Nano Energy 26: 677-691 (2016) Quantitative Structure-Property Relationship Model Leading to Virtual Screening of Fullerene Derivatives: Exploring Structural Attributes Critical for Photoconversion Efficiency of Polymer Solar Cell Acceptors, by Supratik Kar, Natalia Sizochenko, Lucky Ahmed, Victor S. Batista, Jerzy Leszczynski.

  71. Phys. Chem. Chem. Phys. 18: 18678-18682 (2016) Molecular Design of Light-Harvesting Photosensitizers: Effect of Varied Linker Conjugation on Interfacial Electron Transfer, by Jianbing Jiang, John R. Swierk, Svante Hedström, Adam J. Matula, Robert H. Crabtree, Victor S. Batista, Charles A. Schmuttenmaer and Gary W. Brudvig.

  72. J. Am. Chem. Soc. 138: 8076-8079 (2016) Electrochemical CO2 Reduction to Hydrocarbons on a Heterogeneous Molecular Cu Catalyst in Aqueous Solution, by Zhe Weng, Jianbing Jiang, Yueshen Wu, Zishan Wu, Xiaoting Guo, Kelly L. Materna, Wen Liu, Victor S. Batista, Gary W. Brudvig, Hailiang Wang.

  73. New J. Chem. 40: 7373-7378 (2016) Structure-Function Relationships in Single Molecule Rectification by N-Phenylbenzamide Derivatives, by Christopher Koenigsmann, Wendu Ding, Matthieu Koepf, Arunbah Batra, Latha Venkataraman, Christian F.A. Negre, Gary W. Brudvig, Robert H. Crabtree, Victor S. Batista, Charles A. Schmuttenmaer.

  74. J. Phys. Chem. C 120: 20970-20977 (2016) Surface-Induced Anisotropic Binding of a Rhenium CO2-Reduction Catalyst on Rutile TiO2 (110) Surfaces, by Aimin Ge, Benjamin Rudshteyn, Brian T. Psciuk, Dequan Xiao, Jia Song, Chantelle L. Anfuso, Allen M. Ricks, Victor S. Batista and Tianquan Lian.
    (additional information)

  75. Method. Enzymol. 577:443-481 (2016) The MoD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes, by Mikhail Askerka, Junming Ho, Enrique R. Batista, Jose A. Gascon and Victor S. Batista.

  76. Structure 24, 1155-1166 (2016) Dissecting Dynamic Allosteric Pathways Using Chemically Related Small-Molecule Activators, by George P. Lisi, Gregory A. Manley, Heidi Hendrickson, Ivan Rivalta, Victor S. Batista, J. Patrick Loria.

  77. J. Phys. Chem. C 120: 12578-12589 (2016) Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal A Rotationally Fluid Adsorption State of α-Pinene on Silica, by Junming Ho, Brian T. Psciuk, Hilary Chase, Benjamin Rudshteyn, Mary A. Upshur; Li Fu; Regan J. Thomson, Hong-Fei Wang, Franz M. Geiger, and Victor S. Batista.
    (additional information)

  78. Theor. Chem. Acc. 135: 110 (2016) Ultraviolet Vision: Photophysical Properties of the Unprotonated Retinyl Schiff Base in the Siberian Hamster Cone Pigment, by Andrea Bonvicini, Baptiste Demoulin, Salvatore F Altavilla, Artur Nenov, Mohsen MT El-Tahawy, Javier Segarra-Martí, Angelo Giussani, Victor S Batista, Marco Garavelli, Ivan Rivalta.

  79. Phys. Rev. Lett. 116, 217601 (2016) The Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces, by Mikhail Askerka, Reinhard J. Maurer Victor S. Batista and John C. Tully.
    (additional information) (further additional information)

  80. J. Am. Chem. Soc. 138: 5511-5514 (2016) Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy, by Ke R. Yang, Adam J. Matula, Gihan Kwon, Jiyun Hong, Stafford W. Sheehan, Julianne M. Thomsen, Gary W. Brudvig, Robert H. Crabtree, David M. Tiede, Lin X. Chen, and Victor S. Batista.
    (additional information)

  81. Biochemistry 55: 981-984 (2016) The S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS and Femtosecond X-ray Diffraction, by Mikhail Askerka, Jimin Wang, David J. Vinyard, Gary W. Brudvig, and Victor S. Batista.
    (additional information) (highlight slide)

  82. J. Phys. Chem. A 120: 3260-3269 (2016) A Time-Sliced Thawed Gaussian Propagation Method for Simulations of Quantum Dynamics, by Xiangmeng Kong, Andreas Markmann, and Victor S Batista.

  83. Inorg. Chem. 55: 1623-1632 (2016) Experimental and Theoretical Study of CO2 Insertion into Ruthenium Hydride Complexes, by Srinivasan Ramakrishnan, Kate M. Waldie, Ingolf Warnke, Antonio G. De Crisci, Victor S. Batista, Robert M. Waymouth, Christopher E. D. Chidsey.

  84. J. Am. Chem. Soc. 138: 884-892 (2016) Ultrafast Photoinduced Interfacial Proton Coupled Electron Transfer from CdSe Quantum Dots to 4,4-Bipyridine, by Jinquan Chen, Kaifeng Wu, Benjamin Rudshteyn, Yanyan Jia, Wendu Ding, Zhao-Xiong Xie, Victor S. Batista, and Tianquan Lian.

  85. Sci. Rep. 6: 19940, 1-16 (2016) Allosteric Pathways in the PPARγ-RXRα Nuclear Receptor Complex, by Clarisse G. Ricci, Rodrigo L. Silveira, Ivan Rivalta, Victor S. Batista and Munir S. Skaf.

  86. New J. Chem. 40: 1974-1981 (2016) Facile Solvolysis of a Surprisingly Twisted Tertiary Amide, by Aaron J. Bloomfield, Subhajyoti Chaudhuri, Brandon Q. Mercado, Victor S. Batista and Robert H. Crabtree.

  87. Chem. Comm. 52: 2972-2975 (2016) Molecular Titanium-Hydroxamate Complexes as Models for TiO2, by Surface Binding, Bradley Brennan, Jeffrey Chen, Benjamin Rudshteyn, Subhajyoti Chaudhuri, Brandon Q. Mercado, Victor S Batista, Robert H Crabtree, Gary Brudvig.

  88. J. Phys. Chem. C 120: 1657-1665 (2016) Orientation of Cyano-Substituted Bipyridine Re(I) fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces, by Melissa L. Clark, Benjamin Rudshteyn, Aimin Ge, Steven A. Chabolla, Charles W. Wachan, Brian T. Psciuk, Jia Song, Gabriele Canzi, Tianquan Lian, Victor S. Batista and Clifford P. Kubiak.

  89. J. Phys. Chem. A 120: 1919-1927 (2016) Assessment of DFT for Computing Sum Frequency Generation Spectra of an Epoxydiol and a Deuterated Isotopologue at Fused Silica/Vapor Interfaces, by Hilary M. Chase, Benjamin Rudshteyn, Brian T. Psciuk, Mary A. Upshur, Benjamin F. Strick, Regan J. Thomson, Victor S. Batista, and Franz M. Geiger.

  90. J. Chem. Theory Comput 11: 5888–5896 (2015) Computational Design of Intrinsic Molecular Rectifiers based on Asymmetric Functionalization of N-phenylbenzamide, by Wendu Ding, Matthiew Koepf, Christopher Koenigsmann, Arunabh Batra, Latha Venkataraman, Christian Negre, Gary W. Brudvig, Robert H. Crabree, Charles A. Schmuttemnaer and Victor S. Batista.

  91. ACS Catalysis 5: 7104-7113 (2015) Mechanism of Manganese-Catalyzed Oxygen Evolution from Experimental and Theoretical Analyses of 13O Kinetic Isotope Effects, by Sahr Khan, Ke Yang, M. Zahid Ertem, Victor S. Batista and Gary W. Brudvig.
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  92. J. Electrochem. Soc. 162: H938-H944 (2015) Isotopic Probe Illuminates the Role of the Electrode Surface in Proton Coupled Hydride Transfer Electrochemical Reduction of Pyridinium on Pt(111), by Elizabeth L. Zeitler, Mehmed Z. Ertem, James E. Pander III, Yong Yan, Victor S. Batista, Andrew B. Bocarsly

  93. J. Org. Chem.80: 9881-9888 (2015) Preparation of Halogenated Fluorescent Diaminophenazine Building Blocks, by Matthieu Koepf, Shin Hee Lee, Bradley J. Brennan, Dalvin D. Méndez-Hernández, Victor S. Batista, Gary W. Brudvig, Robert H. Crabtree.

  94. Biochemistry 54: 5783–5786 (2015) NH3 Binding to the S2 State of the Oxygen Evolving Complex of Photosystem II: Analogue to H2O Binding during the S2-S3 Transition, by Mikhail Askerka, David Vinyard, Gary W. Brudvig, and Victor S. Batista.
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  95. J. Diabetes Research Article ID 612051 (2015) (2015) New Insights from Sum Frequency Generation Vibrational Spectroscopy into the Interactions of Islet Amyloid Polypeptides with Lipid Membranes, by Li Fu, Zhuguang Wang, V. Batista and Elsa C. Y. Yan.

  96. J. Am. Chem. Soc. 137:10786-10795 (2015) Intramolecular Proton Transfer Boosts Water Oxidation Catalyzed by a Ru Complex, by Roc Matheu, Mehmed Z. Ertem, Jordi Benet-Buchholz, Eugenio Coronado, Victor S. Batista and Antoni Llobet.
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  97. Proc. Natl. Acad. Sci. USA 112:E3155 (2015) Reply to Turin et al.: Vibrational Theory of Olfaction is Implausible, by Eric Block, Seogjoo Jang, Hiroaki Matsunami, Victor S. Batista, and Hanyi Zhuang.

  98. J. Phys. Chem. Lett. 6: 2393-2398 (2015) Crucial Role of Nuclear Dynamics for Electron Injection in a Dye–Semiconductor Complex, by Adriano Monti, Christian F. A. Negre, Victor S. Batista, Luis G. C. Rego, Huub J. M. de Groot, and Franco Buda.

  99. J. Phys. Chem. Lett. 6: 1310-1315 (2015) Characterization of Parallel β-Sheets at Interfaces by Chiral Sum Frequency Generation Spectroscopy, by Li Fu, Zhuguang Wang, Brian T. Psciuk, Dequan Xiao, Victor S. Batista and Elsa C. Y. Yan.

  100. J. Am. Chem. Soc. 137: 7243-7250 (2015) Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted, by Dimitar Y. Shopov, Benjamin Rudshteyn, Jesús Campos, Victor S. Batista, Robert H. Crabtree, and Gary W. Brudvig.

  101. ACS Catalysis 5: 3422-3429 (2015) Behavior of the Ru-Bda Water Oxidation Catalyst Covalently Anchored on Glassy Carbon Electrodes, by Roc Matheu, Laia Francas, Petko Chernev, M. Zahid Ertem, Victor S. Batista, Michale Haumann, Xavier Sala and Antoni Llobet.
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  102. Intl J. Biochem. Cell Biol. 64: 75-80 (2015) Activation of OR1A1 Suppresses PPAR-γ Expression by Inducing HES-1 in Cultured Hepatocytes, by Chunyan Wu, Yaoyao Jia, Ji Hae Lee, Yeonji Kim, Sivakumar Sekharan, Victor S. Batista and Sung-Joon Lee.

  103. Proc. Natl. Acad. Sci. USA 112: E2766–E2774 (2015) Implausibility of the Vibrational Theory of Olfaction, by Eric Block, Seogjoo Jang, Hiroaki Matsunami, Sivakumar Sekharan, Bérénice Dethier, Mehmed Z. Ertem, Sivaji Gundala, Yi Pan, Shengju Li, Zhen Li, Stephene N. Lodge, Mehmet Ozbil, Huihong Jiang, Sonia F. Penalba, Victor S. Batista, and Hanyi Zhuang.

  104. J. Phys. Chem. A 119: 4800-4812 (2015) Correlating Photoacidity to Hydrogen-Bond Structure by Using the Local O−H Stretching Probe in Hydrogen-Bonded Complexes of Aromatic Alcohols, by Brian T. Psciuk, Mirabelle Prémont-Schwarz, Benjamin Koeppe, Sharon Keinan, Dequan Xiao, Erik Nibbering and Victor S. Batista.
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  105. ACS Catalysis 5: 2384-2390 (2015) Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer., by Ivan Rivalta, Ke R. Yang, Gary W. Brudvig, and Victor S. Batista.
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  106. ACS Catalysis 5: 2317-2323 (2015) Photoinduced Water Oxidation at the Aqueous GaN (10-10) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step, by Mehmed Z. Ertem, Neerav Kharche, Victor S. Batista, Mark S. Hybertsen, John C. Tully and James T. Muckerman.
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  107. J. Phys. Chem. A 115:18284-18294 (2015) Beyond Local Group Modes in Vibrational Sum Frequency Generation, by Hilary M. Chase, Brian T. Psciuk, Benjamin L. Strick, Regan J. Thomson, Victor S. Batista and Franz M. Geiger.

  108. Biochemistry 54: 1713-1716 (2015) Analysis of the Radiation-Damage-Free X-ray Structure of Photosystem II in Light of EXAFS and QM/MM Data, by Mikhail Askerka, Jimin Wang, Gary W. Brudvig, and Victor S. Batista.
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  109. J. Mat. Chem. A 3: 3868-3879 (2015) Interfacial Electron Transfer in High-Potential Photoanodes based on Phosphorus(V) Porphyrin Sensitizers Co-deposited on SnO2 with the IrIIICp* Water Oxidation Precatalyst, by Prashanth K. Poddutoori, Julianne M. Thomsen, Rebecca L. Milot, Stafford W. Sheehan, Christian F. A. Negre, Venkata K. R. Garapati, Charles A. Schmuttenmaer, Victor S. Batista, Gary W. Brudvig, Art van der Est.

  110. Biochemistry 54: 820-825 (2015) Computational Insights on Crystal Structures of the Oxygen-Evolving Complex of Photosystem II with either Ca2+ or Ca2+ Substituted by Sr2+, by Leslie Vogt, M. Zahid Ertem, Rhitankar Pal, Gary W. Brudvig, and Victor S. Batista.
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  111. J. Am. Chem. Soc. 137:1520-1529 (2015) Facet-Dependent Photoelectrochemical Performance of TiO2 Nanostructures: An Experimental and Computational Study, by Chuanhao Li, Christopher Koenigsmann, Wendu Ding, Benjamin Rudshteyn, Ke R. Yang, Kevin P. Regan, Steven J. Konezny, Victor S. Batista, Gary W. Brudvig, Charles A. Schmuttenmaer and Jae-Hong Kim.

  112. J. Phys. Chem. A 119:1292-1302 (2015) Accurate Lineshapes from Sub-1 cm-1 Resolution Sum Frequency Generation Vibrational Spectroscopy of α-Pinene at Room Temperature, by Amanda L. Mifflin, Luis Velarde, Junming Ho, Brian T. Psciuk, Christian F. A. Negre, Carlena J. Ebben, Mary A. Upshur, Zhou Lu, Benjamin L. Strick, Regan J. Thomson, Victor S. Batista, Hong-Fei Wang, and Franz M. Geiger.

  113. J. Am. Chem. Soc. 137: 307-313 (2015) Kinetics of Thermal Activation of an Ultraviolet Cone Pigment, by Victoria L. Mooney, Sivakumar Sekharan, Jian Liu, Elsa C. Y. Yan, Victor S. Batista.
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  114. Top Catal 58: 23-29 (2015) Electrochemical Reduction of Aqueous Imidazolium on Pt (111) by Proton Coupled Electron Transfer, by Kuo Liao, Mikhail Askerka, Elizabeth L. Zeitler, Andrew B. Bocarsly and Victor S. Batista.
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  115. J. Phys. Chem. B 119: 715-727 (2015) Steered Quantum Dynamics for Energy Minimization, by Micheline Soley, Andreas Markmann, and Victor S. Batista.

  116. J. Am. Chem. Soc. 136: 16420-16429 (2014) Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates, by Christian F. A. Negre, Karin J. Young, Ma. Belén Oviedo, Laura J. Allen, Cristián G. Sánchez, Katarzyna N. Jarzembska, Jason B. Benedict, Robert H. Crabtree, Philip Coppens, Gary W. Brudvig, and Victor S. Batista.

  117. Biochemistry 53: 6860–6862 (2014) Structural Changes of the Oxygen-Evolving Complex of Photosystem II induced by the S1 to S2 Transition: A Combined XRD and QM/MM Study, by Mikhail Askerka, Jimin Wang, Gary W. Brudvig, and Victor S. Batista.
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  118. J. Chem. Theory Comput 10: 5125–5135 (2014) The MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-quadruplex, by Junming Ho, Michael B. Newcomer, Christina M. Ragain, Jose A. Gascon, Enrique R. Batista, J. Patrick Loria and Victor S. Batista.

  119. J. Phys. Chem. A 118: 3090-3099 (2014) Excited State Intramolecular Hydrogen Transfer (ESIHT) of 1,8-Dihydroxy-9,10-Anthraquinone (DHAQ) Characterized by Ultrafast Electronic and Vibrational Spectroscopy and Computational Modeling., by Omar Mohammed, Dequan Xiao, Victor S. Batista, Erik T. J. Nibbering.

  120. Dalton Trans. 43: 576-583 (2014) EXAFS Simulation Refinement Based on Broken-Symmetry DFT Geometries for the Mn (IV)-Fe(III) Center of Class I RNR from Chlamydia trachomatis, by Sandra Luber, Sophie Leung, Carmen Herrmann, Wen-Ge Han, Louis Noodleman and Victor S. Batista.

  121. J. Catalysis 310: 37-44 (2014) Photoelectrochemical Oxidation of a Turn-On Fluorescent Probe Mediated by a Surface Mn(II) Catalyst Covalently Attached to TiO2 Nanoparticles, by Alec C. Durrell,Gonghu Li, Matthieu Koepf, Karin J. Young, Christian F. A. Negre, Laura J. Allen, William R. McNamara, Hee-eun Song, Victor S. Batista, Robert H. Crabtree and Gary W. Brudvig.
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  122. J. Chem. Theory Comput 10: 3393−3400 14 (2014) Single Molecule Rectification Induced by the Asymmetry of a Single Frontier Orbital, by Wendu Ding, Christian F. A. Negre, Leslie Vogt, and Victor S. Batista.
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  123. J. Phys. Chem. C 118: 8316-8321 (2014) High-Conductance Conformers in Histograms of Current-Voltage Characteristics, by Wendu Ding, Christian F. A. Negre, Leslie Vogt, and Victor S. Batista.
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  124. Phys. Chem. Chem. Phys. 16: 16629-41 14 (2014) Substitution of a Hydroxamic Acid Anchor into the MK-2 Dye for Enhanced Photovoltaic Performance and Water Stability in a DSSC, by Christopher Koenigsmann, Bradley J. Brennan, Christian F. A. Negre, Matthieu Koepf, Alec C. Durrell, Rebecca L. Milot, Victor S. Batista, Gary W. Brudvig, Robert H. Crabtree, Charles A. Schmuttenmaer,Teresa S. Ripolles, Jose A. Torre and Juan Bisquert

  125. Chem. Phys. Chem. 15: 1138-1147 (2014) Linker Rectifiers for Covalent Attachment of Transition Metal Catalysts to Metal-Oxide Surfaces, by Wendu Ding, Christian F. A. Negre, Julio L. Palma, Alec C. Durrell, Laura J. Allen, Karin J. Young, Rebecca L. Milot, Charles A. Schmuttenmaer, Gary W. Brudvig, Robert H. Crabtree and Victor S. Batista.

  126. Biophys. J 107: L05-L08 (2014) QM/MM Model of the Mouse Olfactory Receptor MOR244-3 Validated by Site-Directed Mutagenesis Experiments, by Sivakumar Sekharan, Mehmed Z. Ertem, Hanyi Zhuang, Eric Block, Hiroaki Matsunami, Ruina Zhang, Jennifer N. Wei, Yi Pan, and Victor S. Batista.
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  127. Proc. Natl. Acad. Sci. USA 111: 10438–104 (2014) Unusual Kinetics of Thermal Decay of Dim-Light Photoreceptors in Vertebrate Vision, by Ying Guo, Sivakumar Sekharan, Jian Liu, Victor S. Batista, John C. Tully, Elsa C. Y. Yan.
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  128. J. Organomet. Chem. 762:94-97 (2013) Electrochemical Reactions of Pincer Rhodium(I) Complexes, by Mark D. Doherty, Steven J. Konezny, Victor S. Batista and Grigorii L. Soloveichik.
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  129. J. Am. Chem. Soc. 135: 19064-19067 (2013) Spectral Tuning of Ultraviolet Cone Pigments: An Interhelical Lock Mechanism, by Sivakumar Sekharan, Victoria L. Mooney, Ivan Rivalta, Manija A. Kazmi, Maureen Neitz, Jay Neitz, Thomas P. Sakmar, Elsa C. Y. Yan, Victor S. Batista.

  130. Angew. Chem. Int. Ed. 126: 209-213 (2013) A Self Improved Water Oxidation Catalyst: Is One Site Really Enough?, by Isidoro López, Mehmed Z. Ertem, Somnath Maji, Jordi Benet-Buchholz, Anke Keidel, Uwe Kuhlmann, Peter Hildebrandt, Victor S. Batista and Antoni Llobet.

  131. J. Phys. Chem. C 117: 24462-24470 (2013) Efficiency of Interfacial Electron Transfer from Zn-Porphyrin Dyes into TiO2 Correlated to the Linker Single Molecule Conductance, by Christian F. A. Negre, Rebecca L. Milot, Lauren A. Martini, Wendu Ding, Robert H. Crabtree and Victor S. Batista.

  132. Biophys. J 105: 2323-2332 (2013) Membrane Permeation Induced by Aggregates of Human Islet Amyloid Polypeptides, by Chetan Poojari, Dequan Xiao, Victor S. Batista, Birgit Strodel.
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  133. Biochemistry 52: 7703-7706 (2013) S0-State Model of the Oxygen-Evolving Complex of Photosystem II, by Rhitankar Pal, Christian F. A. Negre, Leslie Vogt, Ravi Pokhrel, Mehmed Z. Ertem, Gary W. Brudvig, and Victor S. Batista.
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  134. J. Am. Chem. Soc. 135: 9624-9627 (2013) Spectral Tuning in Halorhodopsin: The Anion Pump Photoreceptor, by Rhitankar Pal, Sivakumar Sekharan, Jennifer N, Wei, and Victor S. Batista.
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  135. The Royal Society of Chemistry, Chapter 1, p. 1-36, Ed. Piotr Piotrowiak  (2013) Solar Energy Conversion: Dynamics of Interfacial Electron and Excitation Transfer, by Steven Konezny and Victor S. Batista.

  136. Phys. Rev. E 87: 063104 (2013) Wave Packet Spreading and Localization in Electron-Nuclear Scattering, by Paul E. Grabowski, Andreas Markmann, Igor V. Morozov, Ilya A. Valuev, Christopher A. Fichtl, David F. Richards, Victor S. Batista, Frank R. Graziani, and Michael S. Murillo.

  137. J. Phys. Chem. A 117: 5269-5279 (2013) Photoinduced Proton Coupled Electron Transfer in 2-(2'-Hydroxyphenyl)benzothiazole, by Sandra Luber, Katrin Adamczyk, Erik Nibbering and Victor S. Batista.
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  138. Angew. Chem. Int. Ed. 52: 6871-6875 (2013) Ultrafast Solvent-Assisted Electronic Level-Crossing, by Fabrizio Messina, Mirabelle Prémont-Schwarz, Olivier Braem, Dequan Xiao, Victor S. Batista, Erik T. J. Nibbering, Majed Chergui.
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  139. Dalton Trans. 42: 8802-8807 (2013) Study of a NiII Pincer Electrocatalyst for Aqueous Hydrogen Production Based on Paramagnetic 1H NMR, by Oana R. Luca, Steven J. Konezny, Eric K. Paulson, Fatemah Habib, Kurt M. Luthy, Muralee Murugesu, Robert H. Crabtree, Victor S. Batista.
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  140. J. Phys. Chem. B 20: 6217-6226 (2013) Electrostatic Effects on Proton Coupled Electron Transfer in Oxomanganese Complexes Inspired by the Oxygen-Evolving Complex of Photosystem II, by Muhamed Amin, Leslie Vogt, Serguei Vassiliev, Ivan Rivalta, Mohammad M. Sultan, Doug Bruce, Gary W. Brudvig, Victor S. Batista, and M. R. Gunner.
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  141. Inorg. Chem. 52: 6752-6764 (2013) Hydroxamate Anchors for Improved Photoconversion in Dye-Sensitized Solar Cells, by Timothy Brewster, Steven J. Konezny, Lauren Martini, Stafford Sheehan, Charles A. Schmuttenmaer, Victor S. Batista and Robert H. Crabtree.
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  142. J. Phys. Chem. Lett. 4: 745-748 (2013) Functional Role of Pyridinium During Aqueous Electrochemical Reduction of CO2 on Pt(111), by Mehmed Z. Ertem, Steven J. Konezny, C. Moyses Araujo and Victor S. Batista.
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  143. Intl. J. Quant. Chem. 113: 474-478 (2013) Theoretical EXAFS Studies of a Model of the Oxygen-Evolving Complex of Photosystem II Obtained with the Quantum Cluster Approach, by Xichen Li, Eduardo M. Sproviero, Ulf Ryde, Victor S. Batista, and Guangju Chen.
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  144. J. Am. Chem. Soc. 135: 3592-3598 (2013) Chiral Sum Frequency Generation for In Situ Probing Proton Exchange in Antiparallel Beta-Sheets at Interfaces, by Li Fu, Dequan Xiao, Zhuguang Wang, Victor S. Batista and Elsa Yan
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  145. Inorg. Chem. 52: 1860-1871 (2013) Characterization of an Amorphous Iridium Water-Oxidation Catalyst Electrodeposited from Organometallic Precursors, by James D. Blakemore, Michael W. Mara, Maxwell N. Kushner-Lenhoff, Nathan D. Schley, Steven J. Konezny, Ivan Rivalta, Christian F. A. Negre, Robert C. Snoeberger, Oleksandr Kokhan, Jier Huang, Andrew Stickrath, Lan Anh Tran, Maria L. Parr, Lin X. Chen, David M. Tiede, Victor S. Batista, Robert H. Crabtree, and Gary W. Brudvig
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  146. J. Am. Chem. Soc. 134: 19536-19539 (2012) The Active Site of Melanopsin: The Biological Clock Photoreceptor, by Sivakumar Sekharan, Jennifer N. Wei, and Victor S. Batista
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  147. J. Phys. Chem. C 116: 24107-24114 (2012) Orientation of a Series of CO2 Reduction Catalysts on Single TiO2 Using Phase Sensitive Vibrational Sum Frequency Generation Spectroscopy (PS-VSFGS), by Chantelle L. Anfuso, Dequan Xiao, Allen M. Ricks, Christian F. A. Negre, Victor S. Batista, and Tianquan Lian.

  148. Inorg. Chem. 51: 8704-8709 (2012) Organometallic Ni Pincer Complexes for the Electrocatalytic Production of Hydrogen, by Oana R. Luca, Steven J. Konezny, James D. Blakemore, Jeremy M. Praetorius, Timothy J. Schmeier, Glendon B. Hunsinger, Victor S. Batista, Gary W. Brudvig, Nilay Hazari, and Robert H. Crabtree.
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  149. Energy Env. Sci. 5: 9534-9542 (2012) Fuel Selection for Regenerative Organic Fuel Cell/Flow Battery: Thermodynamic Consideration, by C. Moyses Araujo, Davide L. Simone, Steven J. Konezny, Aaron Shim, Robert H. Crabtree, Grigorii L. Soloveichik, and Victor S. Batista.
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  150. J. Mol. Biol. 421: 537-547 (2012) Amphiphilic Adsorption of Human Islet Amyloid Polypeptide Aggregates to Lipid/Aqueous Interfaces, by Dequan Xiao, Li Fu, Jian Liu, Victor S. Batista, and Elsa C.Y. Yan.

  151. Coord. Chem. Rev. 256: 2503-2520 (2012) Light Driven Water Oxidation for Solar Fuels, by Karin J. Young, Lauren A. Martini, Rebecca L. Milot, Robert C. Snoeberger III, Victor S. Batista, Charles A. Schmuttenmaer, Robert H. Crabtree, and Gary W. Brudvig.

  152. New J. Chem. 36: 1141-1144 (2012) Oxidative Functionalization of Benzylic C-H Bonds by DDQ, by Victor S. Batista, Robert H. Crabtree, Steven J. Konezny, Oana R. Luca, Jeremy M. Praetorius.
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  153. Mol. Phys. 110: 995-999 (2012) Tunneling through Coulombic Barriers: Quantum Control of Nuclear Fusion, by Rajdeep Saha, Andreas Markmann, Victor S. Batista.

  154. Curr. Opinion Chem. Biol. 16: 11-18 (2012) Oxomanganese Complexes for Natural and Artificial Photosynthesis, by Ivan Rivalta, Gary W. Brudvig, Victor S. Batista.

  155. New J. Chem. 36: 1149-1152 (2012) A Tridentate Nickel Pincer for Aqueous Electrocatalytic Hydrogen Production, by Oana R. Luca, Steven J. Konezny, James D. Blakemore, Jeremy M. Praetorius, Dominic M. Colosi, Shubro Saha, Graham E. Dobereiner, Timothy J. Schmeier, Gary W. Brudvig, Nilay Hazari, Victor S. Batista and Robert H. Crabtree.

  156. J. Phys. Chem. 116: 6349-6356r (2012) Reduction of Systematic Uncertainty in DFT Redox Potentials of Transition-Metal Complexes, by Steven J. Konezny, Mark D. Doherty, Oana R. Luca, Grigorii L. Soloveichik, Robert H. Crabtree and Victor S. Batista.
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  157. Dalton Trans. 41: 8098-8110 (2012) Synthesis and Computational Studies of Mg Complexes Supported by 2,2':6,2''-Terpyridine Ligands, by Louise M. Guard, Julio L. Palma, William P. Stratton, Laura J. Allen, Gary W. Brudvig, Robert H. Crabtree, Victor S. Batista and Nilay Hazari.

  158. J. Chem. Phys. 116, 4892-4902 (2012) Bioinspired High-Potential Porphyrin Photoanodes, by Gary F. Moore, Steven Konezny, Hee-eun Song, Rebecca L. Milot, James D. Blakemore, Minjoo L. Lee, Victor S. Batista, Charles A. Schmuttenmaer, Robert H. Crabtree and Gary W. Brudvig.

  159. Dalton Trans. 41: 3562-3573 (2012) Uning Redox Potentials of Bis(Imino)Pyridine Cobalt Complexes: An Experimental and Theoretical Study Involving Solvent and Ligand Effects, by C. Moyses Araujo, Mark D. Doherty, Steven J. Konezny, Oana R. Luca, Alex Usyatinsky, Hans Grade, Emil Lobkovsky, Grigorii L. Soloveichik, Robert H. Crabtree and Victor S. Batista.

  160. Proc. Natl. Acad. Sci. USA 109(22):E1428-1436 (2012) Allosteric Pathways in the Imidazole Glycerol Phosphate Synthase, by Ivan Rivalta, Mohammad M. Sultan, Ning-Shiuan Lee, Gregory Manley, J. Patrick Loria, and Victor S. Batista.
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  161. J. Am. Chem. Soc. 134: 8911-8917 (2012) Interfacial Electron Transfer in Functionalized Polyoxotitanate Nanocrystals, by Robert C. Snoeberger III, Karin J. Young, Jiji Tang, Laura J. Allen, Robert H. Crabtree, Gary W. Brudvig, Victor S. Batista, and Jason B. Benedict.

  162. J. Phys. Chem. A 116: 2775-2790 (2012) Ultrafast Vibrational Frequency Shifts Induced by Electronic Excitations: Naphthols in Low Dielectric Media, by Dequan Xiao, Mirabelle Prémont-Schwarz, Erik T.J. Nibbering and Victor S. Batista.

  163. J. ChemPhysChem. 12:3043-3044 (2012) Recent Progress in Theoretical and Computational Chemistry, by Victor S. Batista, Stefan Grimme and Markus Reiher.

  164. High Energy Physics, 8: 105-131 (2012) Large Scale Molecular Dynamics of Dense Plasmas: The Cimarron Project, by Frank R. Graziani, Victor S. Batista, Lorin X. Benedict, Hui Chen, Sophia N.Chen, Chris A. Fichtl, James N. Glosli, Paul E. Grabowski, Alexander T. Graf, Stefan P. Hau-Riege, Andrew U. Hazi, Saad A. Khairallah, A. Bruce Langdon, Richard A. London, Andreas Markmann, Michael S. Murillo, David F. Richards, Howard A. Scott, Ronnie Shepherd, Liam G. Stanton, Michael P. Surh, Jon C. Weisheit, Heather D Whitley.

  165. J. Chem. Theory Comput 8:24-35 (2012) he Kepler Predictor Corrector Algorithm: Dynamics of Particles with One-over-R Singular Potentials, by Andreas Markmann, Frank Graziani, Victor S. Batista.

  166. J. Phys. Chem. Lett. 2: 2629-2633 (2011) Noncollinear Spins Provide a Self-Consistent Treatment of the Low-Spin State of a Biomimetic Oxomanganese Synthetic Trimer Inspired by the Oxygen Evolving Complex of Photosystem II, Sijie Luo, and Donald G. Truhlar., by Sijie Luo, Ivan Rivalta, Victor S. Batista and Donald G. Truhlar.

  167. Dalton Trans. 40, 9580-9588 (2011) Pharmaceutical Formulation Affects Titanocene Transferrin Interactions, Katherine M. Buettner, Robert C. Snoeberger, and Ann M. Valentine., by Katherine M. Buettner, Robert C. Snoeberger, Victor S. Batista and Ann M. Valentine.

  168. Proc. SPIE 8098,809804, (2011) AC Conductivity of Nanoporous Metal-Oxide Photoanodes for Solar Energy Conversion, by Steven J. Konezny, Diyar Talbayev, Ismail El Beggari, Charles A. Schmuttenmaer and Victor S. Batista.

  169. Inorg. Chem. 50:11938-11946 (2011) Thiocyanate Linkage Isomerism in a Ruthenium Polypyridyl Complex, Ru(terpyridine)(4,4'-di tert-butyl-2,2'-bipyridine)SCN]SbF6, with Relevance to Dye Sensitized Solar Cells, by Brewster, Timothy, Ding, Wendu, Schley, Nathan, Hazari, Nilay, Batista, Victor, Crabtree, Robert.

  170. J. Phys. Chem. A 115, 10511-10516 (2011) The OH Stretching Mode of a Prototypical Photoacid as a Local Vibrational Solvatochromic Dielectric Probe of Solvent Environment, by Mirabelle Premont-Scwarz, Dequan Xiao, Victor S. Batista and Erik T.J. Nibbering.
    (additional information)

  171. Biophys. J. 101: 411-420 (2011) Reengineering Rate-Limiting, Millisecond Enzyme Motions by Introduction of an Unnatural Amino Acid, by Eric D. Watt, Ivan Rivalta, Sean K. Whittier, Victor S. Batista, J. Patrick Loria.
    (additional information)

  172. J. Phys. Chem. Lett. 2:1931-1936 (2011) A Fluctuation-Induced Tunneling Model of Electrical Conductivity in Nanoporous TiO2 Thin Films, by Steven J. Konezny, Christiaan Richter, Robert C. Snoeberger III, Alexander R. Parent, Gary W. Brudvig, Charles A. Schmuttenmaer, Victor S. Batista.

  173. Biochemistry 50: 6308-6311 (2011) S1 State Model of the O2-Evolving Complex of Photosystem II, by Sandra Luber, Ivan Rivalta, Yasufumi Umena, K. Kawakami, Jian-Ren Shen, N. Kamiya, Doug Bruce, Gary Brudvig, Victor S. Batista.
    (additional information)

  174. Biochemistry 50:6312-6315 (2011) Structural/Functional Role of Chloride in Photosystem II, by Ivan Rivalta, Muhamed Amin, Sandra Luber, Serguei Vassiliev, Ravi Pokhrel, Y. Umena, K. Kawakami, Jian-Ren Shen, Doug Bruce, Gary Brudvig, Marilyn Gunner, Victor S. Batista.
    (additional information)

  175. J. Phys. Chem. A 115:7550-7558 (2011) Ultrafast Branching of Reaction Pathways in 2-(2'-Hydroxyphenyl)benzothiazole in Polar Acetonitrile Solution, by Omar Mohammed, Sandra Luber, Victor S. Batista and Erik Nibbering.

  176. J. Am. Chem. Soc., 133:9014-9022 (2011) Inverse Design and Synthesis of Acac-Coumarin Anchors for Robust TiO2 Sensitization, by Dequan Xiao, Lauren A. Martini, Robert C. Snoeberger, Robert H. Crabtree, and Victor S. Batista.
    (additional information)

  177. J. Am. Chem. Soc., 133: 6922-6925 (2011) Covalent Attachment of a Rhenium CO2-Reduction Catalyst to Rutile TiO2, by Chantelle L. Anfuso, Robert Snoeberger III, Allen M. Ricks, Weimin Liu, Dequan Xiao, Victor S. Batista and Tianquan Lian
    (additional information)

  178. New J. Chem., 35:998-999 (2011) DDQ as an Electrocatalyst for Amine Dehydrogenation, a Model System for Virtual Hydrogen Storage, by Oana R. Luca, Ting Wang, Steven J. Konezny, Victor S. Batista and Robert H. Crabtree.

  179. J. Phys. Chem. B, 115: 5234-5242 (2011) Tunneling Under Control by Sequences of Unitary Pulses, by Rajdeep Saha and Victor S. Batista.

  180. Inorganic Chemical Aspects pp. 191-198 (2010) Some Computational Challenges in Energy Research. Crabtree R.H. (ed), Wiley, Chichester., by Victor S. Batista.

  181. J. Phys. Chem. C,114, 19433-19442 (2010) Study of Redox Species and Oxygen Vacancy Defects at TiO2-Electrolyte Interfaces, by Robson da Silva, Luis G.C. Rego, Jose A. Freire, Javier Rodriguez, Daniel Laria, and Victor S. Batista.

  182. Biochemistry,49, 6302-6304 (2010) Discrimination of Saturated Aldehydes by the Rat I7 Olfactory Receptor, by Michael D. Kurland, Michael B. Newcomer, Zita Peterlin, Kevin Ryan, Stuart Firestein and Victor S. Batista.
    (additional information)

  183. Energy and Environ. Sci. 3, 917-923 (2010) Water-Stable Hydroxamate Anchors for Functionalization of TiO2 Surfaces with Ultrafast Interfacial Electron Transfer, by William R. McNamara, Rebecca L. Milot, Hee-eun Song, Robert C. Snoeberger III, Victor S. Batista, Robert H. Crabtree and Gary W. Brudvig.

  184. J. Chem. Theory Comput. 6, 2395-2401 (2010) Study of Proton Coupled Electron Transfer in a Biomimetic Dimanganese Water Oxidation Catalyst with Terminal Water Ligands, by Ting Wang, Gary Brudvig, and Victor S. Batista.
    (additional information)

  185. J. Chem. Theory Comput. 6:755-760 (2010) Characterization of Proton Coupled Electron Transfer in a Biomimetic Oxomanganese Complex: Evaluation of the DFT B3LYP Level of Theory, by Ting Wang, Gary Brudvig, and Victor S. Batista.
    (additional information)

  186. J. Phys. Chem. B 114: 14214-14222 (2010) Reversible Visible-Light Photooxidation of an Oxomanganese Water-Oxidation Catalyst Covalently Anchored to TiO2 Nanoparticles, by Gonghu Li, Eduardo M. Sproviero, William R. McNamara, Robert C. Snoeberger III, Robert H. Crabtree, Gary W. Brudvig, and Victor S. Batista.
    (additional information)

  187. J. Phys Chem. C 114:1317-1325 (2010) Visible light sensitization of TiO2 surfaces with Alq3 Complexes, by Luis G. C. Rego, Robson da Silva, Jose A. Freire, Robert C. Snoeberger and Victor S. Batista.

  188. J. Phys. Chem. B 114: 14309-14319 (2010) Single Molecule Electron Transfer Dynamics in Interfacial Donor-Bridge-Nanoparticle Acceptor Complexes, by Shengye Jin, Robert C. Snoeberger III, Abey Issac, Victor S. Batista and Tianquan Lian.

  189. Dalton Trans. 45, 10078-10085 (2009) Synergistic Effect Between Anatase and Rutile TiO2 Nanoparticles in Dye-Sensitized Solar Cells, by Gonghu Li, Christian P. Richter, Rebecca L. Milot, Lawrence Cai, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

  190. Science 326:245-246 (2009) Energy Flow Under Control, by Victor S. Batista.

  191. Proc. SPIE 7396, 739604 (2009) The Influence of Surface Hydration on the Interfacial Electron Transfer Dynamics from Rhodamine B into SnO2, by Robert C. Snoeberger III, Tianquan Lian, and Victor S. Batista.

  192. J. Phys. Chem. A 113,12532-12540 (2009) Interfacial Electron Transfer in TiO2 Surfaces Sensitized with Ru (II)-Polypyridine Complexes, by Elena Jakubikova, Robert C. Snoeberger III, Victor S. Batista and Enrique R. Batista.

  193. Energy and Environ. Sci. 2, 1173-1175 (2009) Hydroxamate Anchors for Functionalization of Semiconductor Surfaces, by William R. McNamara, Robert C. Snoeberger III, Gonghu Li, Christiaan Richter, Laura J. Allen, Rebecca L. Milot, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig, and Victor S. Batista.

  194. Israel J. Chem. 49: 187-197 (2009) Quantum Dynamics of the Excited State Intramolecular Proton Transfer in 2-(2'-Hydroxyphenyl)-Benzothiazole, by Justin Kim, Yinghua Wu, Jean-Luc Bredas and Victor S. Batista.

  195. Photosynth. Res. 102:455-470 (2009) The MoD-QM/MM Methodology for Structural Refinement of Photosystem II and Other Biological Macromolecules, by Eduardo M. Sproviero, Michael B. Newcomer, Jose A. Gascon, Enrique R. Batista, Gary W. Brudvig and Victor S. Batista.

  196. Ann. Rev. Phys. Chem. 60:293-320 (2009) Coherent Control of Quantum Dynamics with Sequences of Unitary Phase-Kick Pulses, by Luis G.C. Rego, Lea F. Santos and Victor S. Batista.

  197. Energy and Environ. Sci. 2, 230-238 (2008) Deposition of an Oxomanganese Water Oxidation Catalyst on TiO2 Nanoparticles: Computational Modeling, Assembly and Characterization, by Gonghu Li, Eduardo M. Sproviero, Robert C. Snoeberger III, Nobuhito Iguchi, James D. Blakemore, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

  198. Proc. SPIE 7034, 70340R (2008) Characterization of Siloxane Adsorbates Covalently Attached to TiO2, by Nobuhito Iguchi, Clyde Cady, Robert C. Snoeberger III, Bryan M. Hunter, Eduardo M. Sproviero, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

  199. J. Am. Chem. Soc. 130:14329-14338 (2008) Acetylacetonate Anchors for Robust Functionalization of TiO2 Nanoparticles with Mn(II)- Terpyridine Complexes, by William R. McNamara,Robert C. Snoeberger III, Gonghu Li, James M. Schleicher, Clyde W. Cady, Macarena Poyatos, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

  200. J. Am. Chem. Soc., 130: 6728-6730 (2008) A Model of the Oxygen Evolving Center of Photosystem II Predicted by Structural Refinement Based on EXAFS Simulations, by Eduardo M. Sproviero, James P. McEvoy, Jose A. Gascon, Gary W. Brudvig and Victor S. Batista.
    (additional information)

  201. Photosynth. Res. 97:91-114 (2008) Computational insights into the O2-Evolving Complex of Photosystem II, by Eduardo M. Sproviero, James P. McEvoy, Jose A. Gascon, Gary W. Brudvig and Victor S. Batista.

  202. J. Am. Chem. Soc. 130: 3428-3442 (2008) QM/MM Study of the Catalytic Cycle of Water Splitting in Photosystem II, by Eduardo M. Sproviero, Jose A. Gascon, James P. McEvoy, Gary W. Brudvig and Victor S. Batista.

  203. Coord. Chem. Rev. 252:395-415 (2008) Computational Studies of the O2-Evolving Complex of Photosystem II and Biomimetic Oxomanganese Complexes, by Eduardo M. Sproviero, Jose A. Gascon, James P. McEvoy, Gary W. Brudvig and Victor S. Batista.

  204. 14th International Congress on Photosynthesis. Eds. J. F. Allen, E. Gautt, J.H. Golbeck and B. Osmond, p. 363-368,2008, Springer. (2008) Photosynthesis. Energy from the Sun. 14th International Congress on Photosynthesis, by Jose A. Gascon, Eduardo M. Sproviero, James P. McEvoy, Gary W. Brudvig and Victor S. Batista.

  205. Phil. Trans. R. Soc. London B 363:1149-1156 (2008) QM/MM Computational Studies of Substrate Water Binding to the Oxygen Evolving Complex of Photosystem II, by Eduardo M. Sproviero, Katherine Shinopoulos, Jose A. Gascon, James P. McEvoy, Gary W. Brudvig and Victor S. Batista.

  206. J. Mod. Optics. 54: 2617-2627 (2007) Multiple Unitary Pulses for Coherent Control of Tunneling and Decoherence, by Luis G.C. Rego, Sabas G. Abuabara and Victor S. Batista.

  207. Photochem. Photobiol. 190, 274-282 (2007) The MP/SOFT Methodology for Simulations of Quantum Dynamics: Model Simulations of the Photoisomerization of the Retinyl Chromophore in Rhodopsin, by Xin Chen and Victor S. Batista.

  208. J. Phys. Chem. C 111, 11982-11990 (2007) Ultrafast Photooxidation of a Mn(II)-Terpyridine Complex Covalently Attached to TiO2 Nanoparticles, by Sabas G. Abuabara, Clyde W. Cady, Jason B. Baxter, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.
    (additional information)

  209. Current Opinion Struct. Biol. 17, 173-180 (2007) Structural Models of the Oxygen-Evolving Complex of Photosystem II, by Eduardo M. Sproviero, Jose A. Gascon, James P. McEvoy, Gary W. Brudvig and Victor S. Batista.

  210. Proceedings of SPIE -- Volume 6325 (2006) Physical Chemistry of Interfaces and Nanomaterials V, Mark Spitler, Frank Willig, Editors, R3250 (Aug. 30, ) Force Field Parameters for Large-Scale Computational Modeling of Sensitized TiO2 Surfaces, by Sabas G. Abuabara, Jose A. Gascon, Suet-Yee Leung and Victor S. Batista.

  211. J. Chem. Phys. 125, 124313 (2006) Matching-Pursuit Split Operator Fourier Transform Simulations of Excited-State Nonadiabatic Quantum Dynamics in Pyrazine, by Xin Chen and Victor S. Batista.

  212. J. Chem. Phys. 124, 224305 (2006) Matching-Pursuit Split Operator Fourier Transform Simulations of Excited-State Intramolecular Proton Transfer in 2-(2`-hydroxyphenyl)-Oxazole, by Yinghua Wu and Victor S. Batista.

  213. J. Mod. Optics. 53, 2519-2532 (2006) Coherent-Control of Tunneling Dynamics in Functionalized Semiconductor Nanostructures: A Quantum-Control Scenario Based on Stochastic Unitary Pulses, by Luis G.C. Rego, Sabas G. Abuabara and Victor S. Batista.

  214. J. Am. Chem. Soc. 128, 3659-3668 (2006) Density Functional Theory and DFT+U Study of Transition Metal Porphine Adsorbed on Au(111) Surfaces and Effects of Applied Electric Fields, by Kevin Leung, Susan B. Rempe, Peter A. Schultz, Eduardo M. Sproviero, Victor S. Batista, Michael E. Chandross, and Craig J. Medforth.

  215. J. Chem. Theory Comput. 2, 1119-1134, 20 (2006) QM/MM Model of the Oxygen-Evolving Complex of Photosystem II, by Eduardo M. Sproviero, Jose A. Gascon, James P. McEvoy, Gary W. Brudvig and Victor S. Batista.

  216. J. Inorg. Biochem. 100, 786-800 (2006) Characterization of Synthetic Oxomanganese Complexes and the Inorganic-Core of the O2-Evolving Complex in Photosystem II: Evaluation of the DFT/B3LYP Level of Theory, by Eduardo M. Sproviero, Jose A. Gascon, James P. McEvoy, Gary W. Brudvig and Victor S. Batista.

  217. Acc. Chem. Res. 39, 184-193 (2006) Computational Studies of the Primary Photo-Transduction Event in Visual Rhodopsin, by Jose A. Gascon, Eduardo M. Sproviero and Victor S. Batista.

  218. Photochem. Photobiol. 4, 940-949 (2006) The Mechanism of Photosynthetic Water Splitting, by James P. McEvoy, Jose A. Gascon, Victor S. Batista and Gary W. Brudvig.

  219. J. Chem. Theory Comput. 2, 175-186 (2006) A Self-Consistent Space-Domain Decomposition Method for QM/MM Computations of Protein Electrostatic Potentials , by Jose A. Gascon, Siegfried S.F. Leung, Enrique R. Batista and Victor S. Batista.

  220. J. Am. Chem. Soc. 127, 18234-18242 (2005) Influence of Thermal Fluctuations on Interfacial Electron Transfer in Functionalized TiO2 Semiconductors, by Sabas G. Abuabara, Luis G.C. Rego and Victor S. Batista.

  221. J. Chem. Phys. 122, 114114 (2005) Matching-Pursuit Split Operator Fourier Transform Simulations of Nonadiabatic Quantum Dynamics, by Yinghua Wu, Michael F. Herman and Victor S. Batista.

  222. J. Chem. Theory Comput. 1, 674-685 (2005) QM/MM Study of the NMR Spectroscopy of the Retinylidene Chromophore in Visual Rhodopsin, by Jose A. Gascon, Eduardo M. Sproviero and Victor S. Batista.

  223. Quant. Inform. Comput. 5, 318-334 (2005) Coherent Optical Control of Electronic Excitations in Functionalized Semiconductor Nanostructures, by Luis G.C. Rego, Sabas G. Abuabara and Victor S. Batista.

  224. J. Chem. Phys. 122, 084111 (2005) Is the Filinov Integral Conditioning Technique Useful in Semiclassical IVR Methods?, by Michael Spanner, Victor S. Batista and Paul Brumer.

  225. J. Chem. Phys. 122, 154709 (2005) Model Study of Coherent Quantum Dynamics of Hole States in Functionalized Semiconductor Nanostructures, by Luis G.C. Rego, Sabas G. Abuabara and Victor S. Batista.

  226. J. Chem. Phys. 122, 64102 (2005) Matching-Pursuit Split Operator Fourier Transform Computations of Thermal Correlation Functions, by Xin Chen, Yinghua Wu and Victor S. Batista.

  227. vol. 1, (D. Bruce and A. van der Est, ed.) Allen Press Inc., Lawrence, Kansas, 278-280, 2005 (2005) Photosynthesis: Fundamental Aspects to Global Perspectives, by James P. McEvoy, Jose A. Gascon, Eduardo M. Sproviero, Victor S. Batista and Gary W. Brudvig.

  228. J. Chem. Phys. 121, 1676-1680 (2004) Quantum Tunneling in Multidimensional Systems: A Matching-Pursuit Description, by Yinghua Wu and Victor S. Batista.

  229. Biophys. J. 87, 2931-2941 (2004) QM/MM Study of Energy Storage and Molecular Rearrangements due to the Primary Event in Vision, by Jose A. Gascon and Victor S. Batista.

  230. J. Phys. Chem. B 108, 6745-6749 (2004) Model Study of Coherent-Control of the Femtosecond Primary Event of Vision, by Samuel C. Flores and Victor S. Batista.

  231. J. Am. Chem. Soc. 125, 7989-7997 (2003) Quantum Dynamics Simulations of the Interfacial Electron Transfer in Sensitized TiO2 Semiconductors, by Luis G.C. Rego and Victor S. Batista.

  232. (Andre Bandrauk and Claude de Bris, Eds.), Oxford University Press, 2004  (2004) Quantum Control: Mathematical and Numerical Challenges (Andre Bandrauk and Claude de Bris, Eds.), Oxford University Press, Coherent Control: Principles and Semiclassical Implementations, by Victor S. Batista and Paul Brumer.

  233. J. Chem. Phys. 119, 7606 (2003) Erratum: Matching Pursuit for Simulations of Quantum Processes [J. Chem. Phys. 118,6720, (2003)], by Yinghua Wu and Victor S. Batista.

  234. J. Chem. Phys. 118, 6720 (2003) Matching Pursuit for Simulations of Quantum Processes, by Yinghua Wu and Victor S. Batista.

  235. J. Phys. Chem. B 106, 8271 (2002) Semiclassical Molecular Dynamics Simulations of the Excited State Photodissociation Dynamics of H2O in the a 1B1 Band, by Yinghua Wu and Victor S. Batista

  236. J. Chem. Phys. 116, 2748 (2002) Real Time Path Integrals Using the Herman Kluk Propagator, by John Burant and Victor S. Batista

  237. J. Am. Chem. Soc. 124, 1430 (2002) Proton Transfer Dynamics in the Activation of Cytochrome P450eryF, by Victor Guallar, Danni L. Harris, Victor S. Batista, William H. Miller.

  238. Phys. Rev. Lett. 89, 249903 (2002) Erratum: Coherent Control in the Presence of Intrinsic Decoherence: Proton Transfer in Large Molecular Systems [Phys. Rev. Lett. 89, 143201 ], by Victor S. Batista and Paul Brumer.

  239. Phys. Rev. Lett. 89, 143201 (2002) Coherent Control in the Presence of Intrisic Decoherence: Proton Transfer in Large Molecular Systems, by Victor S. Batista and Paul Brumer.

  240. J. Chem. Phys. 114, 10321 (2001) A Direct Approach to One Photon Interference Contributions in the Coherent Control of Photodissociation and Paul Brumer., by Victor S. Batista and Paul Brumer.

  241. J. Phys. Chem. A 105, 2591 (2001) Semiclassical Dynamics in the Coherent Control of Nonadiabatic ICN Photodissociation, by Victor S. Batista and Paul Brumer.

  242. J. Chem. Phys. 113, 9510 (2000) Semiclassical Molecular Dynamics Simulations of the Excited State Intramolecular Proton Transfer Reaction in 2-(2'-Hydroxyphenyl)-Oxazole, by Victor Guallar, Victor S. Batista and William H. Miller.

  243. J. Chem. Phys. 112, 5566 (2000) Nonadiabatic Photodissociation Dynamics of ICN in the à Continuum: A Semiclassical Initial Value Representation Study, by Eduardo A. Coronado, Victor S. Batista and William H. Miller.

  244. J. Chem. Phys. 110, 9922 (1999) Semiclassical Molecular Dynamics Simulations of Double Proton Transfer Dynamics in 7-Azaindole Dimers, by Victor Guallar, Victor S. Batista and William H. Miller.

  245. J. Chem. Phys. 110, 3748 (1999) Femtosecond Photoelectron Spectroscopy of the I2- Anion: Characterization of the 2Πg,1/2 Excited State, by Martin T. Zanni, Victor S. Batista, B. Jefferys Greenblatt, William H. Miller and Daniel M. Neumark.

  246. J. Chem. Phys. 110, 3736 (1999) Femtosecond Photoelectron Spectroscopy of the I2- Anion: A Semiclassical Molecular Dynamics Simulation Method, by Victor S. Batista, Martin T. Zanni, B. Jefferys Greenblatt, Daniel M. Neumark and William H. Miller.

  247. J. Chem. Phys. 108, 498 (1998) Semiclassical Molecular Dynamics Simulations of Ultrafast Photodissociation Dynamics Associated with the Chappuis Band of Ozone, by Victor S. Batista and William H. Miller.

  248. J. Chem. Phys. 110, 6583 (1999) Erratum: On Nonadiabatic Molecular Dynamics Simulations of the Photofragmentation and Geminate Recombination Dynamics in Size-Selected I2-ArN Cluster Ions, by Victor S. Batista and David F. Coker.

  249. J. Chem. Phys. 106, 7102 (1997) Nonadiabatic Molecular Dynamics Simulations of the Photofragmentation and Geminate Recombination Dynamics in Size-Selected I2-ArN Cluster Ions, by Victor S. Batista and David F. Coker.
    (additional information)

  250. J. Chem. Phys. 106, 6923 (1997) Nonadiabatic Molecular Dynamics Simulation of Pump-Probe Experiments on I2 in Solid Rare Gases, by Victor S. Batista and David F. Coker.
    (additional information)

  251. J. Chem. Phys. 105, 4033 (1996) Nonadiabatic Molecular Dynamics Simulation of Photodissociation and Geminate Recombination of Iodine in Liquid Xenon, by Victor S. Batista and David F. Coker.