Quantum Dynamics in an Explicit Solvent Environment: A Photochemical Bond Cleavage Treated with a Combined QD/MD Approach
Author:
Affiliation:
1. Department Chemie, Ludwig-Maximilians-Universität München, D-81377 München, Germany
2. Lehrstuhl für BioMolekulare Optik, Ludwig-Maximilians-Universität München, D-80538 München, Germany
Funder
Deutsche Forschungsgemeinschaft
Dr. Klaus Römer-Stiftung, Ludwig-Maximilians-Universität München
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00046
Reference38 articles.
1. A Comprehensive Microscopic Picture of the Benzhydryl Radical and Cation Photogeneration and Interconversion through Electron Transfer
2. Computer-aided molecular design of solvents for accelerated reaction kinetics
3. Molecular wave packet dynamics decelerated by solvent environment: A theoretical approach
4. Quantum Dynamics of a Photochemical Bond Cleavage Influenced by the Solvent Environment: A Dynamic Continuum Approach
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