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Volumn 16, Issue 3, 2010, Pages 437-446
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Combined DFT and NBO study on the electronic basis of Si·· ·N-β-donor bond
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Author keywords
Antibonding orbital; DFT; Donor acceptor interaction; Electron delocalization; NBO; Si N donor bond
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Indexed keywords
NITROGEN;
SILICON;
ARTICLE;
ATOM;
CHEMICAL ANALYSIS;
CHEMICAL BOND;
CONTROLLED STUDY;
DENSITY FUNCTIONAL THEORY;
MATHEMATICAL ANALYSIS;
MATHEMATICAL COMPUTING;
MOLECULAR ELECTRONICS;
MOLECULAR INTERACTION;
NATURAL BOND ORBITAL THEORY;
PRIORITY JOURNAL;
PROCESS OPTIMIZATION;
QUANTUM CHEMISTRY;
STRUCTURE ANALYSIS;
CHEMICAL MODEL;
CHEMISTRY;
ELECTRON;
THERMODYNAMICS;
ELECTRONS;
MODELS, CHEMICAL;
NITROGEN;
SILICON;
THERMODYNAMICS;
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EID: 77951239193
PISSN: 16102940
EISSN: 09485023
Source Type: Journal
DOI: 10.1007/s00894-009-0560-8 Document Type: Article |
Times cited : (15)
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References (56)
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