Computational Replication of the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Solution Hydride-Transfer Reactions: Supporting the Isotopically Different Tunneling Ready State Conformations-Reference-Cited by-同舟云学术

Computational Replication of the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Solution Hydride-Transfer Reactions: Supporting the Isotopically Different Tunneling Ready State Conformations

Published:2016-06-20 Issue:25 Volume:120 Page:4277-4284
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Derakhshani-Molayousefi Mortaza¹,Kashefolgheta Sadra¹²,Eilers James E.¹,Lu Yun¹

Affiliation:

1. Department of Chemistry, Southern Illinois University Edwardsville, Edwardsville, Illinois 62026, United States

2. Department of Theory & Bio-systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, 14476 Potsdam, Germany

Funder

American Chemical Society Petroleum Research Fund

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b03571

Reference42 articles.

1. Chapter 6. Beyond Tunnelling Corrections: Full Tunnelling Models for Enzymatic C–H Activation Reactions

2. Update 1 of: Tunneling and Dynamics in Enzymatic Hydride Transfer

3. Elusive transition state of alcohol dehydrogenase unveiled

4. A Critical Test of the “Tunneling and Coupled Motion” Concept in Enzymatic Alcohol Oxidation

5. Chapter 9. Probing Coupled Motions in Enzymatic Hydrogen Tunnelling Reactions: Beyond Temperature-Dependence Studies of Kinetic Isotope Effects

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