Quantum Chemical Simulations of the Proton Transfer in Water Wires Attached to Molecular Walls-Reference-Cited by-同舟云学术

Quantum Chemical Simulations of the Proton Transfer in Water Wires Attached to Molecular Walls

Published:2003-03-07 Issue:13 Volume:107 Page:2958-2965
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Nemukhin Alexander V.¹,Grigorenko Bella L.¹,Topol Igor A.¹,Burt Stanley K.¹

Affiliation:

1. Chemistry Department, M.V. Lomonosov Moscow State University, Moscow 119899, Russian Federation, and Advanced Biomedical Computing Center, SAIC Frederick, National Cancer Institute at Frederick, P.O. Box B, Frederick, Maryland 21702

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp027283x

Reference33 articles.

1. Free Energy Profiles for H+ Conduction along Hydrogen-Bonded Chains of Water Molecules

2. An empirical valence bond model for proton transfer in water

3. Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

4. Quantum Dynamics of an Excess Proton in Water Using an Extended Empirical Valence-Bond Hamiltonian

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