Click here for a list of publications v2
From WikidChem
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-Arncluster 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-Arn 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 Pig,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.
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.
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. Compu., 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, 63250R (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.
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.
(44) 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.
(45) J. Phys. Chem. B 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.
(46) 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.
(47) 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.
(48) 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.
(49) 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.
(50) 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.
(51) Photosyn. 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.
