|
|
Volumn 71, Issue 4, 2008, Pages 1565-1570
|
|
Ab initio determination of molecular geometries and vibrational frequencies of CX3 COOH (X = H, F, Cl, Br)
a
|
|
Author keywords
Ab initio calculations; Atomic charges; Geometrical structure; Vibrational assignments
|
|
Indexed keywords
ACIDS;
ATOMIC SPECTROSCOPY;
PHOTORESISTS;
AB INITIO CALCULATIONS;
ATOMIC CHARGES;
GEOMETRICAL STRUCTURE;
VIBRATIONAL ASSIGNMENTS;
OPTIMIZATION;
BROMINE;
CARBON;
CHLORINE;
FLUORINE;
HYDROGEN;
ALGORITHM;
ARTICLE;
CHEMICAL STRUCTURE;
CHEMISTRY;
COMPUTER SIMULATION;
CONFORMATION;
INFRARED SPECTROPHOTOMETRY;
METHODOLOGY;
NORMAL DISTRIBUTION;
OSCILLOMETRY;
RAMAN SPECTROMETRY;
STATISTICAL ANALYSIS;
ALGORITHMS;
BROMINE;
CARBON;
CHLORINE;
COMPUTER SIMULATION;
DATA INTERPRETATION, STATISTICAL;
FLUORINE;
HYDROGEN;
MODELS, MOLECULAR;
MOLECULAR CONFORMATION;
MOLECULAR STRUCTURE;
NORMAL DISTRIBUTION;
OSCILLOMETRY;
SPECTROPHOTOMETRY, INFRARED;
SPECTRUM ANALYSIS, RAMAN;
|
|
EID: 53949083277
PISSN: 13861425
EISSN: None
Source Type: Journal
DOI: 10.1016/j.saa.2008.06.016 Document Type: Article |
|
Times cited : (8)
|
|
References (17)
|
