Calculation of chemical reaction rate constants using on-the-fly high level electronic structure computations with account of multidimensional tunneling-Reference-Cited by-同舟云学术

Calculation of chemical reaction rate constants using on-the-fly high level electronic structure computations with account of multidimensional tunneling

Published:2012-12-21 Issue:23 Volume:137 Page:234304
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Kryvohuz Maksym

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4769195

Reference88 articles.

1. Summarizing lecture: factors influencing enzymatic H-transfers, analysis of nuclear tunnelling isotope effects and thermodynamic versus specific effects

2. Tunneling and Dynamics in Enzymatic Hydride Transfer

3. Hydrogen tunnelling in enzyme-catalysed H-transfer reactions: flavoprotein and quinoprotein systems

4. Hydrogen tunneling in biology

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

Cited by 21 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. ℏ 4 quantum corrections to semiclassical transmission probabilities;The Journal of Chemical Physics;2024-05-09

2. A personal perspective of the present status and future challenges facing thermal reaction rate theory;The Journal of Chemical Physics;2024-04-19

3. ℏ² Corrections to Semiclassical Transmission Coefficients;The Journal of Physical Chemistry A;2024-04-17

4. Multidimensional uniform semiclassical instanton thermal rate theory;The Journal of Chemical Physics;2023-12-11

5. Uniform Semiclassical Instanton Rate Theory;The Journal of Physical Chemistry Letters;2023-10-31