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Bond detectors for molecular dynamics simulations. Part I : Hydrogen bonds
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Bond detectors for molecular dynamics simulations. Part I : Hydrogen bonds
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Bibliographic description
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
punktacja MEiN [2013 A]: 35
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