Published November 30, 2023 | Version v1

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

Description

This repository contains i. optimized geometry of the cis and trans retinal, ii. figure labelling the internal coordinates of retinal. 

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Additional details

Funding

U.S. National Science Foundation
CHE 2154367
U.S. National Science Foundation
OAC 2118061