List of Publications:

(1) J. Chem. Phys. 105(10), 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(17), 6923, 1997 Nonadiabatic Molecular Dynamics Simulation of Pump-Probe Experiments on I₂  in solid rare gases,  by Victor S. Batista and David F. Coker. (Video Segments)

(3) J. Chem. Phys. 106(17), 7102, 1997 Nonadiabatic Molecular Dynamics Simulations of the Photofragmentation and Geminate Recombination Dynamics in size-selected of I₂^-Ar_ncluster ions,  by Victor S. Batista and David F. Coker. (Video Segments)

(4) J. Chem. Phys., 110(13), 6583, 1999 Erratum: On nonadiabatic molecular dynamics simulations of the  photofragmentation and geminate recombination dynamics in size-selected I₂^-Ar_n cluster ions,  by  Victor S. Batista and David F. Coker.

(5) J. Chem. Phys. 108(2), 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(8), 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,  DanielM. Neumark and William H. Miller.

(7) J. Chem. Phys., 110(8), 3748, 1999 Femtosecond Photoelectron Spectroscopy of the  I₂^- anion: characterization of the ² Pi_g,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(20), 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(13), 5566, 2000 Nonadiabatic photodissociation dynamics of ICN in the A continuum: a semiclassical initial value representation study, by Eduardo A. Coronado, Victor S. Batista and William H. Miller.

(10) J. Chem. Phys. 113(21), 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(12), 2591, 2001 Semiclassical dynamics in the coherent control of nonadiabatic ICN photodissociation, by Victor S. Batista and Paul Brumer.

(12) J. Chem. Phys. 114(23), 10321, 2001 A Direct Approach to one Photon Interference Contributions in the Coherent Control of Photodissociation, by Victor S. Batista and Paul Brumer.

(13) Phys. Rev. Lett. 89, 143201, 2002 (Also, selected for the October 2002 issue of the Virtual Journal of Ultrafast Science ) 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 (2002)],  by Victor S. Batista and Paul Brumer.

(15) J. Am. Chem. Soc. 124(7), 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(7), 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, 6720-6724, 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) Quantum Control: Mathematical and Numerical Challenges (Andre Bandrauk and Claude de Bris, Eds.), Oxford University Press, 2004 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(5), 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) Photosynthesis: Fundamental Aspects to Global Perspectives, vol. 1, (D. Bruce and A. van der Est, ed.) Allen Press Inc., Lawrence, Kansas, 278-280, 2005 Computational Structural Model of the Oxygen Evolving Complex in Photosystem II: Complete Ligation by Protein, Water and Chloride, 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 (Also, selected for the May 2005 issue of the Virtual Journal of Ultrafast Science ) 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?, 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, Luis G.C. Rego, Sabas G. Abuabara and Victor S. Batista.

(30) J Chem. Theor. 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. Theor. 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, 2005 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 supporting information 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. Theor. Comput. 4, 1119-1134, 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, 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 Physical Chemistry of Interfaces and Nanomaterials V, Mark Spitler, Frank Willig, Editors, R3250 (Aug. 30, 2006) 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, Sabas G. Abuabara, Clyde W. Cady, Jason B. Baxter, Charles A. Schmuttenmaer, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista.

(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, 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) Photosynthesis. Energy from the Sun. 14^th International Congress on Photosynthesis. Eds. J. F. Allen, E. Gautt, J.H. Golbeck and B. Osmond, p. 363-368, 2008, Springer. Ligation of the C-terminus of the D1-polypeptide of photosystem II to the Oxygen Evolving Complex of Photosystem II, 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 supporting information 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.

(53) J. Am. Chem. Soc. 130:14329-14338, 2008 Acetylacetonate anchors for robust functionalization of TiO₂ nanoparticles with Mn(II)-terpyridine complexes, 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, 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 & Environ. Sci. 2, 230-238, 2008 Deposition of an Oxomanganese Water Oxidation Catalyst on TiO₂ Nanoparticles: Computational Modeling, Assembly and Characterization, 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, Luis G.C. Rego, Lea F. Santos and Victor S. Batista.

(57) Photosynth. Res. (in press) 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 & Environ. Sci. (in press) 2009 Hydroxamate Anchors for Functionalization of Semiconductor Surfaces, 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. Am. Chem. Soc. (submitted) 2009 Single molecule electron transfer dynamics in interfacial donor-bridge-nanoparticle acceptor complexes, Shengye Jin, Robert C. Snoeberger III, Abey Issac, Victor S. Batista and Tianquan Lian.

(61) J. Phys. Chem. A (in press) 2009 Interfacial electron transfer in TiO₂ surfaces sensitized with Ru(II)-polypyridine complexes, Elena Jakubikova, Robert C. Snoeberger III, Victor S. Batista and Enrique R. Batista.

(62) J. Phys Chem. (in press) 2009 Visible light sensitization of TiO₂ surfaces with Alq3 complexes, Luis G. C. Rego, Robson da Silva, José A. Freire, Robert C. Snoeberger and Victor S. Batista.

(63) Proc. SPIE 7396, 739694, 2009 The Influence of Surface Hydration on the Interfacial Electron Transfer Dynamics from Rhodamine B into SnO₂, Robert C. Snoeberger III, Tianquan Lian, and Victor S. Batista.

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

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

(66) J. Phys. Chem. B (in press), 2009 supporting information Reversible Visible-Light Photooxidation of an Oxomanganese Water-Oxidation Catalyst Covalently Anchored to TiO₂ Nanoparticles, Gonghu Li, Eduardo M. Sproviero, William R. McNamara, Robert C. Snoeberger III, Robert H. Crabtree, Gary W. Brudvig, and Victor S. Batista.

(67) J. Chem. Theory Comput. (submitted 2009) supporting information Characterization of proton coupled electron transfer in a biomimetic oxomanganese complex: Evaluation of the DFT B3LYP level of theory, Ting Wang, Gary Brudvig, and Victor S. Batista

Batista Research Group