Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase-Reference-Cited by-同舟云学术

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Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase

Published:2023-10-10 Issue:20 Volume:19 Page:7151-7170
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Liu Zengkui¹²³^ORCID,Hu Haorui¹^ORCID,Sun Xiang¹²³⁴^ORCID

Affiliation:

1. Division of Arts and Sciences, NYU Shanghai, 567 West Yangsi Road, Shanghai, 200124, China

2. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, 3663 Zhongshan Road North, Shanghai, 200062, China

3. Department of Chemistry, New York University, New York, New York, 10003, United States

4. Shanghai Frontiers Science Center of Artificial Intelligence and Deep Learning, NYU Shanghai, 567 West Yangsi Road, Shanghai, 200124, China

Funder

National Natural Science Foundation of China

NYU Shanghai Boost Fund

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00770

Reference98 articles.

1. Synthetic Control of Exciton Dynamics in Bioinspired Cofacial Porphyrin Dimers

2. Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria

3. Modeling the Effect of Disorder in the Two-Dimensional Electronic Spectroscopy of Poly-3-hexyltiophene in an Organic Photovoltaic Blend: A Combined Quantum/Classical Approach

4. A Wide Bandgap Acceptor with Large Dielectric Constant and High Electrostatic Potential Values for Efficient Organic Photovoltaic Cells

5. Electron Transport in Organic Photovoltaic Acceptor Materials: Improving the Carrier Mobilities by Intramolecular and Intermolecular Modulations

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