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Volumn 57, Issue 6, 2001, Pages 1271-1282
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Calculated gas-phase infrared spectra of 2,2,5,5,8,8-hexamethylhexahydroimidazo[1,2-a]-pyrazine-3,6-dione: Relative performance of Hartree-Fock and hybrid density functional theory methods
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Author keywords
Amino acids; DFT; Geometry; HF; Imidazo 1,2 a pyrazines; IR spectra
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Indexed keywords
2,2,5,5,8,8 HEXAMETHYLHEXAHYDROIMIDAZO(1,2 A) PYRAZINE 3,6 DIONE;
2,2,5,5,8,8-HEXAMETHYLHEXAHYDROIMIDAZO(1,2-A)-PYRAZINE-3,6-DIONE;
IMIDAZOLE DERIVATIVE;
PYRAZINE DERIVATIVE;
ARTICLE;
CHEMICAL STRUCTURE;
CHEMISTRY;
INFRARED SPECTROPHOTOMETRY;
MATHEMATICAL COMPUTING;
METHODOLOGY;
IMIDAZOLES;
MATHEMATICAL COMPUTING;
MODELS, MOLECULAR;
MOLECULAR STRUCTURE;
PYRAZINES;
SPECTROPHOTOMETRY, INFRARED;
FOURIER TRANSFORM INFRARED SPECTROSCOPY;
PROBABILITY DENSITY FUNCTION;
GAS-PHASE INFRARED SPECTRA;
AMINO ACIDS;
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EID: 0034744132
PISSN: 13861425
EISSN: None
Source Type: Journal
DOI: 10.1016/S1386-1425(00)00476-5 Document Type: Article |
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Times cited : (6)
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References (22)
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