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Title: Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model

Abstract

Not provided.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]
  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
Publication Date:
Research Org.:
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 Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1566510
DOE Contract Number:  
SC0006863; AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 15; Journal Issue: 1; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
nuclear, separations, water, materials and chemistry by design

Citation Formats

Wildman, Andrew, Donati, Greta, Lipparini, Filippo, Mennucci, Benedetta, and Li, Xiaosong. Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model. United States: N. p., 2018. Web. doi:10.1021/acs.jctc.8b00836.
Wildman, Andrew, Donati, Greta, Lipparini, Filippo, Mennucci, Benedetta, & Li, Xiaosong. Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model. United States. doi:10.1021/acs.jctc.8b00836.
Wildman, Andrew, Donati, Greta, Lipparini, Filippo, Mennucci, Benedetta, and Li, Xiaosong. Tue . "Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model". United States. doi:10.1021/acs.jctc.8b00836.
@article{osti_1566510,
title = {Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model},
author = {Wildman, Andrew and Donati, Greta and Lipparini, Filippo and Mennucci, Benedetta and Li, Xiaosong},
abstractNote = {Not provided.},
doi = {10.1021/acs.jctc.8b00836},
journal = {Journal of Chemical Theory and Computation},
issn = {1549-9618},
number = 1,
volume = 15,
place = {United States},
year = {2018},
month = {11}
}