The Batista Group

Publications

  1. 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.

  2. 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)

  3. 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)

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

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

  17. 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

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

  19. 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.

  20. (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.

  21. 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.

  22. 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.

  23. 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.

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

  25. 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.

  26. 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.

  27. 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.

  28. 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.

  29. 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.

  30. 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.

  31. 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.

  32. 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.

  33. 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.

  34. 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.

  35. 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.

  36. 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.

  37. 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.

  38. 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.

  39. 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.

  40. 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.

  41. 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.

  42. 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.

  43. 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.

  44. 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)

  45. 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.

  46. 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.

  47. 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.

  48. 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.

  49. 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.

  50. 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.

  51. 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.

  52. 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)

  53. 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.

  54. 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.

  55. 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.

  56. 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.

  57. 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.

  58. 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.

  59. 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.

  60. 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.

  61. 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.

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

  63. 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.

  64. 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.

  65. 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.

  66. 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)

  67. 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)

  68. 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)

  69. 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.

  70. 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)

  71. 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.

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

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

  74. 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.

  75. 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)

  76. 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)

  77. 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.

  78. 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)

  79. 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)

  80. 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.

  81. 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)

  82. 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)

  83. 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.

  84. 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.

  85. 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.

  86. 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.

  87. 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.

  88. 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.

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

  90. 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.

  91. 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.

  92. 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.
    (additional information)

  93. 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.

  94. 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.

  95. 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.

  96. 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.
    (additional information)

  97. 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.

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

  99. Mol. Phys. 110: 995-999 (2012) Tunneling through Coulombic Barriers: Quantum Control of Nuclear Fusion, by Rajdeep Saha, Andreas Markmann, Victor S. Batista.

  100. 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.
    (additional information)

  101. 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.

  102. 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.

  103. 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.
    (additional information)

  104. 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.
    (additional information)

  105. 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.

  106. 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
    (additional information) (further additional information)

  107. 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
    (additional information)

  108. 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
    (additional information)

  109. 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.
    (additional information)

  110. 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.
    (additional information)

  111. 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.
    (additional information)

  112. 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.
    (additional information)

  113. 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.
    (additional information)

  114. 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.
    (additional information)

  115. 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.
    (additional information)

  116. 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.

  117. 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.

  118. 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.
    (additional information)

  119. 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.
    (additional information)

  120. 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.
    (additional information)

  121. 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.

  122. 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.

  123. 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.

  124. 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.
    (additional information)

  125. 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.
    (additional information)

  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.
    (additional information)

  127. 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.

  128. 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

  129. 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.
    (additional information)

  130. 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.
    (additional information)

  131. 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.
    (additional information)

  132. 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.

  133. 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.

  134. 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.

  135. 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.
    (additional information)

  136. 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.

  137. J. Phys. Chem. B 119: 715-727 (2015) Steered Quantum Dynamics for Energy Minimization, by Micheline Soley, Andreas Markmann, and Victor S. Batista.

  138. 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.
    (additional information)

  139. 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.
    (additional information)

  140. 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.

  141. 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.

  142. 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.
    (additional information)

  143. 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.

  144. 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.
    (additional information)

  145. 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.

  146. 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.
    (additional information)

  147. 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.
    (additional information)

  148. 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.
    (additional information)

  149. 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.

  150. 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.

  151. 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.
    (additional information)

  152. 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.

  153. 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.

  154. 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.

  155. 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.

  156. 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.
    (additional information)

  157. 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.

  158. 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.
    (additional information)

  159. 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.

  160. 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

  161. 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.

  162. 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.

  163. 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.

  164. 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.

  165. 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.

  166. 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.

  167. 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.

  168. 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.

  169. 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.

  170. 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.

  171. 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)

  172. 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)

  173. 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)

  174. 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.

  175. 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)

  176. 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.

  177. 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.

  178. 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)

  179. 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.

  180. 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.

  181. 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.

  182. 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.

  183. 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.

  184. 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.

  185. 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.

  186. 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.

  187. 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.

  188. 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.

  189. 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.

  190. 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)

  191. 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)

  192. 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)

  193. 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.

  194. 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.

  195. 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)

  196. 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.

  197. 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.

  198. 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.

  199. 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.

  200. 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.

  201. 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.

  202. 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)

  203. 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.

  204. 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.

  205. 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.

  206. 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.

  207. 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.

  208. 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.

  209. 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.

  210. 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.

  211. 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

  212. 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.

  213. 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)

  214. 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.

  215. 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.

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

  217. ACS Catalysis 7: 5282-5288 (2017) (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.

  218. 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

  219. 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

  220. 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

  221. 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

  222. 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)

  223. 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

  224. 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

  225. 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

  226. 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

  227. 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

  228. 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

  229. 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)

  230. 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

  231. 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

  232. 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

  233. J. Phys. Chem. Lett. xxx: xxxx-xxxx (2017) 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

  234. Int. J. Quant. Chem. xxx: xxxx-xxxx (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

  235. 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

  236. J. Chem. Theory Comput. xxx: xxxx-xxxx (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

  237. J. Am. Chem. Soc. xxx: xxxx-xxxx (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