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Volumn 938, Issue 1-3, 2009, Pages 41-47
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Structural stability, NH2 inversion and vibrational assignments of 2,4,6-trichloroaniline and 2,3,5,6-tetrachloroaniline
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Author keywords
2,3,5,6 tetrachloroaniline; 2,4,6 trichloroaniline; Ab initio MP2; Aniline; MP4(SDQ) and DFT B3LYP calculations; Vibrational spectra and assignments
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Indexed keywords
2,3,5,6-TETRACHLOROANILINE;
AB INITIO MP2;
BASIS SETS;
BENZENE RING;
CHLORINE ATOM;
DFT-B3LYP;
INDUCTIVE EFFECTS;
INFRARED AND RAMAN SPECTRA;
INVERSION BARRIERS;
LINE INTENSITIES;
NORMAL COORDINATE ANALYSIS;
PLANAR STRUCTURE;
POTENTIAL ENERGY DISTRIBUTION;
RAMAN LINES;
SINGLE BOND;
STRETCHING MODES;
STRUCTURAL STABILITIES;
VIBRATIONAL ASSIGNMENT;
VIBRATIONAL FREQUENCIES;
VIBRATIONAL SPECTRA AND ASSIGNMENTS;
ANILINE;
BENZENE;
CHLORINE;
INFRARED SPECTROSCOPY;
RAMAN SPECTROSCOPY;
STABILITY;
VIBRATIONAL SPECTRA;
PROBABILITY DENSITY FUNCTION;
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EID: 70449633264
PISSN: 00222860
EISSN: None
Source Type: Journal
DOI: 10.1016/j.molstruc.2009.09.001 Document Type: Article |
Times cited : (15)
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References (36)
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