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Volumn 78, Issue 2, 2011, Pages 582-589
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Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method
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Author keywords
FT IR; FT Raman; NBO analysis; NCA; TD DFT
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Indexed keywords
AROMATIC POLYMERS;
CHARGE TRANSFER;
CHEMICAL BONDS;
CHLORINE COMPOUNDS;
GROUND STATE;
MOLECULAR STRUCTURE;
MOLECULES;
QUANTUM THEORY;
RAMAN SCATTERING;
SPECTROSCOPIC ANALYSIS;
SPECTRUM ANALYSIS;
ULTRAVIOLET SPECTROSCOPY;
VIBRATIONAL SPECTRA;
VIBRATIONS (MECHANICAL);
FT-RAMAN;
HARMONIC VIBRATIONAL FREQUENCIES;
INTRA-MOLECULAR CHARGE TRANSFER;
NATURAL BOND ORBITAL ANALYSIS;
NBO ANALYSIS;
SCALED QUANTUM MECHANICAL FORCE FIELDS;
TD-DFT;
TIME DEPENDENT DENSITY FUNCTIONAL THEORY;
DENSITY FUNCTIONAL THEORY;
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EID: 79151480525
PISSN: 13861425
EISSN: None
Source Type: Journal
DOI: 10.1016/j.saa.2010.11.044 Document Type: Article |
Times cited : (34)
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References (42)
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