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Volumn 9, Issue 7, 2008, Pages 1003-1009
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Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocycles
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Author keywords
ab initio calculations; Density functional calculations; Dimer; Nitrogen heterocycles; pi interactions
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Indexed keywords
BENZENE;
BINDING ENERGY;
BLUE SHIFT;
CALCULATIONS;
DENSITY FUNCTIONAL THEORY;
DIMERS;
AB INITIO CALCULATIONS;
DECOMPOSITION ANALYSIS;
ELECTROSTATIC CONTRIBUTIONS;
NITROGEN HETEROCYCLES;
NITROGEN-CONTAINING HETEROCYCLES;
PARALLEL STRUCTURES;
PI INTERACTIONS;
STRETCHING FREQUENCY;
NITROGEN;
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EID: 43649101693
PISSN: 14394235
EISSN: 14397641
Source Type: Journal
DOI: 10.1002/cphc.200700587 Document Type: Article |
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Times cited : (64)
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References (40)
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