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Variational Formulation of the Generalized Many-Body Expans..:
Liu, Jie
;
Rana, Bhaskar
;
Liu, Kuan-Yu
.
The Journal of Physical Chemistry Letters. 10 (2019) 14 - p. 3877-3886 , 2019
Link:
https://doi.org/10.1021/acs.jpclett.9b01214
RT Journal T1 <Title>Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Basedab InitioMolecular Dynamics</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jpclett.9b01214&Exemplar=1&LAN=DE A1 Liu, Jie A1 Rana, Bhaskar A1 Liu, Kuan-Yu A1 Herbert, John M. PB American Chemical Society (ACS) YR 2019 SN 1948-7185 SN 1948-7185 JF The Journal of Physical Chemistry Letters VO 10 IS 14 SP 3877 OP 3886 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpclett.9b01214 DO https://doi.org/10.1021/acs.jpclett.9b01214 SF ELIB - SuUB Bremen
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