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Bond detectors for molecular dynamics simulations. Part I : Hydrogen bonds
Journal
Journal of Computational Chemistry
35
Author
Stachowicz-Kuśnierz Anna
Korchowiec Jacek
Volume
34
Issue
26
Pages
2261-2269
ISSN
0192-8651
eISSN
1096-987X
Keywords in English
molecular dynamics simulations
polarizable force-fields
reactivity criteria
charge sensitivity analysis
softness/hardness
Fukui function
polarization matrix
bond detectors
hydrogen bond
Remarks
Na publikacji autorka Stachowicz-Kuśnierz Anna podpisana jako Stachowicz Anna.
Language
English
Container language
English
Affiliation
Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego
Scopus© citations
3
| cris.lastimport.scopus | 2024-04-07T14:37:21Z | |
| cris.lastimport.wos | 2024-04-10T02:14:25Z | |
| dc.affiliation | Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego | pl |
| dc.contributor.author | Stachowicz-Kuśnierz, Anna - 140732 | pl |
| dc.contributor.author | Korchowiec, Jacek - 129106 | pl |
| dc.date.accessioned | 2015-06-08T12:56:15Z | |
| dc.date.available | 2015-06-08T12:56:15Z | |
| dc.date.issued | 2013 | pl |
| dc.description.additional | Na publikacji autorka Stachowicz-Kuśnierz Anna podpisana jako Stachowicz Anna. | pl |
| dc.description.number | 26 | pl |
| dc.description.physical | 2261-2269 | pl |
| dc.description.volume | 34 | pl |
| dc.identifier.doi | 10.1002/jcc.23385 | pl |
| dc.identifier.eissn | 1096-987X | pl |
| dc.identifier.issn | 0192-8651 | pl |
| dc.identifier.uri | http://ruj.uj.edu.pl/xmlui/handle/item/9010 | |
| dc.language | eng | pl |
| dc.language.container | eng | pl |
| dc.rights.licence | bez licencji | |
| dc.subject.en | molecular dynamics simulations | pl |
| dc.subject.en | polarizable force-fields | pl |
| dc.subject.en | reactivity criteria | pl |
| dc.subject.en | charge sensitivity analysis | pl |
| dc.subject.en | softness/hardness | pl |
| dc.subject.en | Fukui function | pl |
| dc.subject.en | polarization matrix | pl |
| dc.subject.en | bond detectors | pl |
| dc.subject.en | hydrogen bond | pl |
| dc.subtype | Article | pl |
| dc.title | Bond detectors for molecular dynamics simulations. Part I : Hydrogen bonds | pl |
| dc.title.journal | Journal of Computational Chemistry | pl |
| dc.type | JournalArticle | pl |
| dspace.entity.type | Publication |
Affiliations
Wydział Chemii
Korchowiec, Jacek
Stachowicz-Kuśnierz, Anna