Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations - Infoscience

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Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations

Kim, J. ; Lin, L. C. ; Lee, K. ; Neaton, J. B.[...]

Published in:

Journal of Physical Chemistry C, 118, 5, 2693-2701

Year:

2014

ISSN:

1932-7447

Note:

Times Cited: 0
Kim, Jihan Lin, Li-Chiang Lee, Kyuho Neaton, Jeffrey B. Smit, Berend
0
J PHYS CHEM C

DOI:

10.1021/jp412368m

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Record appears in:

Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LSMO - Laboratory of molecular simulation
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Record created 2014-08-14, last modified 2018-10-07

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