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Title: The role of cations in uranyl nanocluster association: a molecular dynamics study

Abstract

The aggregation of uranyl nanoclusters is investigated with molecular dynamics simulations.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, USA
  2. Department of Chemistry, Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1581198
Grant/Contract Number:  
SC0001089
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Newcomb, Ken, Bernales, Varinia, Tiwari, Surya Prakash, Gagliardi, Laura, and Maginn, Edward J. The role of cations in uranyl nanocluster association: a molecular dynamics study. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP05138D.
Newcomb, Ken, Bernales, Varinia, Tiwari, Surya Prakash, Gagliardi, Laura, & Maginn, Edward J. The role of cations in uranyl nanocluster association: a molecular dynamics study. United Kingdom. doi:10.1039/C9CP05138D.
Newcomb, Ken, Bernales, Varinia, Tiwari, Surya Prakash, Gagliardi, Laura, and Maginn, Edward J. Wed . "The role of cations in uranyl nanocluster association: a molecular dynamics study". United Kingdom. doi:10.1039/C9CP05138D.
@article{osti_1581198,
title = {The role of cations in uranyl nanocluster association: a molecular dynamics study},
author = {Newcomb, Ken and Bernales, Varinia and Tiwari, Surya Prakash and Gagliardi, Laura and Maginn, Edward J.},
abstractNote = {The aggregation of uranyl nanoclusters is investigated with molecular dynamics simulations.},
doi = {10.1039/C9CP05138D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
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