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Volumn 77, Issue 1, 2010, Pages 73-81
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Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) analysis on the structure of 2-amino pyridine
a
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Author keywords
2 Amino pyridine; Ab initio Hartree Fock; B3LYP B3PW91; Bruker IFS; FTIR; FTRaman
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Indexed keywords
AB - INITIO HARTREE-FOCK;
AB INITIO;
AMINE GROUPS;
BASIS SETS;
BRUKER IFS;
FT-RAMAN;
FTIR;
FTIR AND FT-RAMAN SPECTRA;
FUNDAMENTAL BANDS;
MOLECULAR GEOMETRIES;
NORMAL MODES OF VIBRATION;
OBSERVED DATA;
SCALE FACTOR;
VIBRATIONAL ASSIGNMENT;
VIBRATIONAL FREQUENCIES;
WAVE NUMBERS;
MOLECULES;
PYRIDINE;
QUANTUM CHEMISTRY;
SURFACE STRUCTURE;
VIBRATION ANALYSIS;
AMINOPYRIDINE DERIVATIVE;
ARTICLE;
CHEMICAL MODEL;
CHEMISTRY;
CONFORMATION;
INFRARED SPECTROSCOPY;
RAMAN SPECTROMETRY;
VIBRATION;
AMINOPYRIDINES;
MODELS, CHEMICAL;
MOLECULAR CONFORMATION;
SPECTROSCOPY, FOURIER TRANSFORM INFRARED;
SPECTRUM ANALYSIS, RAMAN;
VIBRATION;
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EID: 77955307040
PISSN: 13861425
EISSN: None
Source Type: Journal
DOI: 10.1016/j.saa.2010.04.027 Document Type: Article |
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Times cited : (90)
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References (71)
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