Bond detectors for molecular dynamics simulations. Part I : Hydrogen bonds

Bibliographic description

punktacja MNiSW [2013 A]: 35

title:	Bond detectors for molecular dynamics simulations. Part I : Hydrogen bonds
author:	Stachowicz-Kuśnierz Anna , Korchowiec Jacek
journal title:	Journal of Computational Chemistry
volume:	34
issue:	26
date of publication :	2013
pages:	2261-2269
ISSN:	0192-8651
eISSN:	1096-987X
DOI:	10.1002/jcc.23385
notes:	Na publikacji autorka Stachowicz-Kuśnierz Anna podpisana jako Stachowicz Anna.
language:	English
journal language:	English
keywords in English:	molecular dynamics simulations, polarizable force-fields, reactivity criteria, charge sensitivity analysis, softness/hardness, Fukui function, polarization matrix, bond detectors, hydrogen bond
affiliation:	Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego
type:	journal article
subtype:	academic paper

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