Article ; Online: Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation.
Journal of chemical theory and computation
2024
Abstract: Herein, we have used the "on-the-fly" ring-polymer surface-hopping simulation method with the centroid approximation (RPSH-CA), in combination with the multireference OM2/MRCI electronic structure calculations to study the photoinduced dynamics of a ... ...
Abstract | Herein, we have used the "on-the-fly" ring-polymer surface-hopping simulation method with the centroid approximation (RPSH-CA), in combination with the multireference OM2/MRCI electronic structure calculations to study the photoinduced dynamics of a green fluorescent protein (GFP) chromophore analogue in the gas phase, |
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Language | English |
Publishing date | 2024-04-24 |
Publishing country | United States |
Document type | Journal Article |
ISSN | 1549-9626 |
ISSN (online) | 1549-9626 |
DOI | 10.1021/acs.jctc.4c00068 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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