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Volumn 116, Issue 4, 2002, Pages 1296-1302
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High-level theoretical study of the conformational equilibrium of n-pentane
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Author keywords
[No Author keywords available]
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Indexed keywords
APPROXIMATION THEORY;
CHEMICAL BONDS;
ELECTRON DIFFRACTION;
EXTRAPOLATION;
INFRARED SPECTROSCOPY;
MOLECULAR STRUCTURE;
OPTIMIZATION;
ORGANIC COMPOUNDS;
PROBABILITY DENSITY FUNCTION;
RAMAN SPECTROSCOPY;
STATISTICAL MECHANICS;
TEMPERATURE;
CONFORMATIONAL EQUILIBRIUM;
DENSITY FUNCTIONAL THEORY;
FOCAL POINT ANALYSIS;
PENTANE;
TORSIONAL POTENTIAL ENERGY SURFACE;
ZERO-POINT VIBRATIONAL ENERGIES;
CONFORMATIONS;
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EID: 0037154397
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1429243 Document Type: Article |
Times cited : (66)
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References (46)
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