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List of
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(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. (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. 14th 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.
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 &
Environ. Sci. 2, 1173-1175, 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.
Phys. Chem. (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
113,12532-12540, 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,
739604, 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. 45,
10078-10085, 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 |