Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model

Journal Article · Tue Nov 27 00:00:00 EST 2018 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.8b00836· OSTI ID:1566510

Wildman, Andrew  ^[1]; Donati, Greta ^[1]; Lipparini, Filippo  ^[2]; Mennucci, Benedetta  ^[2]; Li, Xiaosong  ^[1]

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1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States
2. Dipartimento di Chimica e Chimica Industriale, Universitá di Pisa, Via Risorgimento 35, 56126 Pisa, Italy

Not provided.

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Interfacial Dynamics in Radioactive Environments and Materials (IDREAM); Univ. of Washington, Seattle, WA (United States); Battelle Memorial Institute, Columbus, OH (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0006863; AC05-76RL01830
• OSTI ID: 1566510
• Journal Information: Journal of Chemical Theory and Computation, Vol. 15, Issue 1; ISSN 1549-9618
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

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