Exploring the Global Reaction Coordinate for Retinal Photoisomerization: A Graph Theory-Based Machine Learning Approach-Reference-Cited by-同舟云学术

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Exploring the Global Reaction Coordinate for Retinal Photoisomerization: A Graph Theory-Based Machine Learning Approach

Published:2024-09-11 Issue: Volume: Page:
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Giudetti Goran¹^ORCID,Mukherjee Madhubani¹,Nandi Samprita²,Agrawal Sraddha¹,Prezhdo Oleg V.¹²^ORCID,Nakano Aiichiro²³⁴^ORCID

Affiliation:

1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States

2. Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089, United States

3. Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States

4. Department of Quantitative and Computational Biology, University of Southern California, Los Angeles, California 90089, United States

Funder

National Science Foundation

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00325

Reference30 articles.

1. Exploring potential energy surfaces for chemical reactions: An overview of some practical methods

2. Potential energy surface crossings in organic photochemistry

3. Combes, J. M.; Duclos, P.; Seiler, R. The Born-Oppenheimer Approximation; Springer US: Boston, MA, 1981; pp. 185213.

4. Molecular structure and the born—Oppenheimer approximation

5. The physics of the born-oppenheimer approximation

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