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Sagnella, Diane E., Tuckerman, Mark E. (1998) An empirical valence bond model for proton transfer in water. The Journal of Chemical Physics, 108 (5). 2073-2083 doi:10.1063/1.475586

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Reference TypeJournal (article/letter/editorial)
TitleAn empirical valence bond model for proton transfer in water
JournalThe Journal of Chemical Physics
AuthorsSagnella, Diane E.Author
Tuckerman, Mark E.Author
Year1998 (February)Volume108
Issue5
PublisherAIP Publishing
DOIdoi:10.1063/1.475586Search in ResearchGate
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Mindat Ref. ID2238232Long-form Identifiermindat:1:5:2238232:6
GUID0
Full ReferenceSagnella, Diane E., Tuckerman, Mark E. (1998) An empirical valence bond model for proton transfer in water. The Journal of Chemical Physics, 108 (5). 2073-2083 doi:10.1063/1.475586
Plain TextSagnella, Diane E., Tuckerman, Mark E. (1998) An empirical valence bond model for proton transfer in water. The Journal of Chemical Physics, 108 (5). 2073-2083 doi:10.1063/1.475586
In(1998, February) The Journal of Chemical Physics Vol. 108 (5) AIP Publishing

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Brancato, Giuseppe, Tuckerman, Mark E. (2005) A polarizable multistate empirical valence bond model for proton transport in aqueous solution. The Journal of Chemical Physics, 122 (22). 224507pp. doi:10.1063/1.1902924
Mei, Hsiao S., Tuckerman, Mark E., Sagnella, Diane E., Klein, Michael L. (1998) Quantum Nuclearab InitioMolecular Dynamics Study of Water Wires. The Journal of Physical Chemistry B, 102 (50). 10446-10458 doi:10.1021/jp982623t
Vuilleumier, Rodolphe, Borgis, Daniel (1998) An extended empirical valence bond model for describing proton transfer in H+(H2O)n clusters and liquid water. Chemical Physics Letters, 284. 71-77 doi:10.1016/s0009-2614(97)01365-1
Miura, Shinichi, Tuckerman, Mark E., Klein, Michael L. (1998) An ab initio path integral molecular dynamics study of double proton transfer in the formic acid dimer. The Journal of Chemical Physics, 109 (13). 5290-5299 doi:10.1063/1.477147
Schmitt, Udo W., Voth, Gregory A. (1998) Multistate Empirical Valence Bond Model for Proton Transport in Water. The Journal of Physical Chemistry B, 102 (29). 5547-5551 doi:10.1021/jp9818131
Mabuchi, Takuya, Fukushima, Akinori, Tokumasu, Takashi (2015) A modified two-state empirical valence bond model for proton transport in aqueous solutions. The Journal of Chemical Physics, 143 (1). 14501pp. doi:10.1063/1.4926394
Benjamin, Ilan (2008) Empirical valence bond model of an SN2 reaction in polar and nonpolar solvents. The Journal of Chemical Physics, 129 (7). 74508pp. doi:10.1063/1.2970083
Tuckerman, Mark E., Mundy, Christopher J., Balasubramanian, Sundaram, Klein, Michael L. (1998) Response to “Comment on ‘Modified nonequilibrium molecular dynamics for fluid flows with energy conservation’ ” [J. Chem. Phys. 108, 4351 (1998)]. The Journal of Chemical Physics, 108 (10). 4353-4354 doi:10.1063/1.475844
Vuilleumier, Rodolphe, Borgis, Daniel (1998) Quantum Dynamics of an Excess Proton in Water Using an Extended Empirical Valence-Bond Hamiltonian. The Journal of Physical Chemistry B, 102 (22). 4261-4264 doi:10.1021/jp9807423
Sagnella, Diane E., Straub, John E., Thirumalai, D. (2000) Time scales and pathways for kinetic energy relaxation in solvated proteins: Application to carbonmonoxy myoglobin. The Journal of Chemical Physics, 113 (17). 7702-7711 doi:10.1063/1.1313554
Snir, Ophir, Wang, Yifeng, Tuckerman, Mark E., Geletii, Yurii V., Weinstock, Ira A. (2010) Concerted Proton−Electron Transfer to Dioxygen in Water. Journal Of The American Chemical Society, 132 (33) 11678-11691 doi:10.1021/ja104392k
 
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