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Volumn 663, Issue 1-3, 2003, Pages 149-157
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Ab initio RHF and density functional B3LYP and B3PW91 study of (NPF 2)n; n = 2, 3, 4 and (NPX2)3; X = H, Cl, Br cyclic phosphazenes
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Author keywords
Aromaticity; Cross population; Cyclic phosphazenes; Natural bond orbital; Thermochemistry; Vibrational frequencies
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Indexed keywords
NITROGEN DERIVATIVE;
PHOSPHAZENE DERIVATIVE;
PHOSPHORUS DERIVATIVE;
UNCLASSIFIED DRUG;
AB INITIO CALCULATION;
ARTICLE;
CHEMICAL BOND;
CHEMICAL STRUCTURE;
DENSITY;
GAS;
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;
STRUCTURE ANALYSIS;
THERMOSTABILITY;
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EID: 0344442266
PISSN: 01661280
EISSN: None
Source Type: Journal
DOI: 10.1016/j.theochem.2003.08.132 Document Type: Article |
Times cited : (19)
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References (23)
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