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

2013
journal article
article
cris.lastimport.wos2024-04-10T02:14:25Z
dc.affiliationWydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiegopl
dc.contributor.authorStachowicz-Kuśnierz, Anna - 140732 pl
dc.contributor.authorKorchowiec, Jacek - 129106 pl
dc.date.accessioned2015-06-08T12:56:15Z
dc.date.available2015-06-08T12:56:15Z
dc.date.issued2013pl
dc.description.additionalNa publikacji autorka Stachowicz-Kuśnierz Anna podpisana jako Stachowicz Anna.pl
dc.description.number26pl
dc.description.physical2261-2269pl
dc.description.volume34pl
dc.identifier.doi10.1002/jcc.23385pl
dc.identifier.eissn1096-987Xpl
dc.identifier.issn0192-8651pl
dc.identifier.urihttp://ruj.uj.edu.pl/xmlui/handle/item/9010
dc.languageengpl
dc.language.containerengpl
dc.rights.licencebez licencji
dc.subject.enmolecular dynamics simulationspl
dc.subject.enpolarizable force-fieldspl
dc.subject.enreactivity criteriapl
dc.subject.encharge sensitivity analysispl
dc.subject.ensoftness/hardnesspl
dc.subject.enFukui functionpl
dc.subject.enpolarization matrixpl
dc.subject.enbond detectorspl
dc.subject.enhydrogen bondpl
dc.subtypeArticlepl
dc.titleBond detectors for molecular dynamics simulations. Part I : Hydrogen bondspl
dc.title.journalJournal of Computational Chemistrypl
dc.typeJournalArticlepl
dspace.entity.typePublication
cris.lastimport.wos
2024-04-10T02:14:25Z
dc.affiliationpl
Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego
dc.contributor.authorpl
Stachowicz-Kuśnierz, Anna - 140732
dc.contributor.authorpl
Korchowiec, Jacek - 129106
dc.date.accessioned
2015-06-08T12:56:15Z
dc.date.available
2015-06-08T12:56:15Z
dc.date.issuedpl
2013
dc.description.additionalpl
Na publikacji autorka Stachowicz-Kuśnierz Anna podpisana jako Stachowicz Anna.
dc.description.numberpl
26
dc.description.physicalpl
2261-2269
dc.description.volumepl
34
dc.identifier.doipl
10.1002/jcc.23385
dc.identifier.eissnpl
1096-987X
dc.identifier.issnpl
0192-8651
dc.identifier.uri
http://ruj.uj.edu.pl/xmlui/handle/item/9010
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights.licence
bez licencji
dc.subject.enpl
molecular dynamics simulations
dc.subject.enpl
polarizable force-fields
dc.subject.enpl
reactivity criteria
dc.subject.enpl
charge sensitivity analysis
dc.subject.enpl
softness/hardness
dc.subject.enpl
Fukui function
dc.subject.enpl
polarization matrix
dc.subject.enpl
bond detectors
dc.subject.enpl
hydrogen bond
dc.subtypepl
Article
dc.titlepl
Bond detectors for molecular dynamics simulations. Part I : Hydrogen bonds
dc.title.journalpl
Journal of Computational Chemistry
dc.typepl
JournalArticle
dspace.entity.type
Publication

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