Photoexcited Nonadiabatic Dynamics of Solvated Push–Pull π-Conjugated Oligomers with the NEXMD Software-Reference-Cited by-同舟云学术

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Photoexcited Nonadiabatic Dynamics of Solvated Push–Pull π-Conjugated Oligomers with the NEXMD Software

Published:2018-06-06 Issue:8 Volume:14 Page:3955-3966
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sifain Andrew E.^ORCID,Bjorgaard Josiah A.^ORCID,Nelson Tammie R.^ORCID,Nebgen Benjamin T.,White Alexander J.,Gifford Brendan J.¹^ORCID,Gao David W.²,Prezhdo Oleg V.^ORCID,Fernandez-Alberti Sebastian³^ORCID,Roitberg Adrian E.⁴^ORCID,Tretiak Sergei^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, United States

2. Los Alamos High School, Los Alamos, New Mexico 87544, United States

3. Universidad Nacional de Quilmes/CONICET, Roque Saenz Peña 352, B1876BXD Bernal, Argentina

4. Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States

Funder

Los Alamos National Laboratory

Laboratory Directed Research and Development

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00103

Reference94 articles.

1. Quantum Dynamics Simulations of Interfacial Electron Transfer in Sensitized TiO2 Semiconductors

2. Unidirectional Energy Transfer in Conjugated Molecules: The Crucial Role of High-Frequency C≡C Bonds

3. Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces

4. Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces

5. Interference of Interchromophoric Energy-Transfer Pathways in π-Conjugated Macrocycles

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