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Journal of Molecular Structure: THEOCHEM

Volumn 574, Issue 1-3, 2001, Pages 19-26

An ab initio molecular orbital theory study of the conformational free energies of 2-methyl-, 3-methyl-, and 4-methyltetrahydro-2H-pyran

(3) Freeman, F a Kasner, M L b Hehre, W J a,c

a UNIVERSITY OF CALIFORNIA (United States)

b MONTCLAIR STATE UNIVERSITY (United States)

c Wavefunction Inc (United States)

Author keywords

Ab initio molecular orbital theory; Conformational free energies; Methyl tetrahydro 2H pyrans; Methylcyclohexane (Toluene); Repulsive nonbonded interactions

Indexed keywords

2 METHYLTETRAHYDRO 2H PYRAN; 3 METHYLTETRAHYDRO 2H PYRAN; 4 METHYLTETRAHYDRO 2H PYRAN; CYCLOHEXANE; TETRAHYDROPYRAN DERIVATIVE; TOLUENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CONFORMATION; DIPOLE; ENTHALPY; ENTROPY; NUCLEAR MAGNETIC RESONANCE;

EID: 0035900229 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00757-0 Document Type: Article

Times cited : (15)

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