The effect of zero‐point energy in simulating organic reactions with post‐transition state bifurcation-Reference-Cited by-同舟云学术

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The effect of zero‐point energy in simulating organic reactions with post‐transition state bifurcation

Published:2022-01-20 Issue:11 Volume:35 Page:
ISSN:0894-3230
Container-title:Journal of Physical Organic Chemistry
language:en
Short-container-title:J of Physical Organic Chem

Author:

Tremblay Matthew T.¹^ORCID,Yang Zhongyue J.¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry Vanderbilt University Nashville Tennessee USA

2. Center for Structural Biology Vanderbilt University Nashville Tennessee USA

3. Vanderbilt Institute of Chemical Biology Vanderbilt University Nashville Tennessee USA

4. Data Science Institute Vanderbilt University Nashville Tennessee USA

Funder

Vanderbilt University

Publisher

Wiley

Subject

Organic Chemistry,Physical and Theoretical Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/poc.4322

Reference37 articles.

1. Bifurcations on Potential Energy Surfaces of Organic Reactions

2. Post-transition state bifurcations gain momentum – current state of the field

3. Do we fully understand what controls chemical selectivity?

4. Construction of Two-Dimensional Potential Energy Surfaces of Reactions with Post-Transition-State Bifurcations

5. Dynamic Behavior of Organic Reactive Intermediates

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3. Molecular dynamics simulation study of post‐transition state bifurcation: A case study on the ambimodal transition state of dipolar/Diels–Alder cycloaddition;Journal of Physical Organic Chemistry;2024-05-03

4. Running Wild through Dirhodium Tetracarboxylate-Catalyzed Combined CH(C)-Functionalization/Cope Rearrangement Landscapes: Does Post-Transition-State Dynamic Mismatching Influence Product Distributions?;Journal of the American Chemical Society;2024-02-28

5. Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels–Alder cycloaddition between cyclobutadiene and butadiene;Computational and Theoretical Chemistry;2023-09

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