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Title: A structural coarse-grained model for clays using simple iterative Boltzmann inversion

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3];  [4]
  1. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, USA
  2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
  3. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, USA, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, USA, Department of Bioengineering, University of California, Berkeley, Berkeley, California 94720, USA
  4. Department of Environmental Science, Policy, and Management, University of California, Berkeley, Berkeley, California 94720, USA, Earth and Environmental Science Area, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1421881
Grant/Contract Number:
AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 22; Related Information: CHORUS Timestamp: 2018-02-20 11:16:47; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Schaettle, Karl, Ruiz Pestana, Luis, Head-Gordon, Teresa, and Lammers, Laura Nielsen. A structural coarse-grained model for clays using simple iterative Boltzmann inversion. United States: N. p., 2018. Web. doi:10.1063/1.5011817.
Schaettle, Karl, Ruiz Pestana, Luis, Head-Gordon, Teresa, & Lammers, Laura Nielsen. A structural coarse-grained model for clays using simple iterative Boltzmann inversion. United States. doi:10.1063/1.5011817.
Schaettle, Karl, Ruiz Pestana, Luis, Head-Gordon, Teresa, and Lammers, Laura Nielsen. Thu . "A structural coarse-grained model for clays using simple iterative Boltzmann inversion". United States. doi:10.1063/1.5011817.
@article{osti_1421881,
title = {A structural coarse-grained model for clays using simple iterative Boltzmann inversion},
author = {Schaettle, Karl and Ruiz Pestana, Luis and Head-Gordon, Teresa and Lammers, Laura Nielsen},
abstractNote = {},
doi = {10.1063/1.5011817},
journal = {Journal of Chemical Physics},
number = 22,
volume = 148,
place = {United States},
year = {Thu Jun 14 00:00:00 EDT 2018},
month = {Thu Jun 14 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on February 20, 2019
Publisher's Accepted Manuscript

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