Nuclear quantum effects in chemical reactions via higher-order path-integral calculations-Reference-Cited by-同舟云学术

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Nuclear quantum effects in chemical reactions via higher-order path-integral calculations

Published:2015-04 Issue: Volume:450-451 Page:95-101
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Engel Hamutal,Eitan Reuven,Azuri Asaf,Major Dan Thomas

Funder

Israel Science Foundation

Council for higher education – planning and budgeting committee

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference87 articles.

1. Enzymatic Reaction Mechanisms;Frey,2007

2. Mechanisms and Free Energies of Enzymatic Reactions

3. Electrostatic Basis for Enzyme Catalysis

4. Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis

5. How Important Are Quantum Mechanical Nuclear Motions in Enzyme Catalysis?

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1. Quantum Tunneling in Computational Catalysis and Kinetics: Is it Really Important?;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022

2. Path integrals with higher order actions: Application to realistic chemical systems;The Journal of Chemical Physics;2018-02-21

3. Kinetic isotope effects and how to describe them;Structural Dynamics;2017-11

4. Improved Sugar Puckering Profiles for Nicotinamide Ribonucleoside for Hybrid QM/MM Simulations;Journal of Chemical Theory and Computation;2016-09-02

5. Accelerating quantum instanton calculations of the kinetic isotope effects;The Journal of Chemical Physics;2015-11-21

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