CO2 Adsorption in Fe-2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations
2014
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Title
CO2 Adsorption in Fe-2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations
Author(s)
Borycz, J. ; Lin, L. C. ; Bloch, E. D. ; Kim, J. ; Dzubak, A. L. ; Maurice, R. ; Semrouni, D. ; Lee, K. ; Smit, B. ; Gagliardi, L.
Published in
Journal of Physical Chemistry C
Volume
118
Issue
23
Pages
12230-12240
Date
2014
ISSN
1932-7447
Other identifier(s)
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Laboratories
LSMO
Record Appears in
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LSMO - Laboratory of molecular simulation
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date
2014-08-14