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Volumn 65, Issue 4, 2000, Pages 969-973

Enthalpic and entropic contributions to the conformational free energies of methylthio, methylsulfinyl, methylsulfonyl, phenylthio, phenylsulfinyl, and phenylsulfonyl [s(o)(n)r, n = 0, 1, 2; r = ch3, ph] groups in cyclohexane

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOHEXANE; DIMETHYL SULFIDE; SULFONE; SULFOXIDE;

EID: 0034712218     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo991181u     Document Type: Article
Times cited : (20)

References (34)
  • 23
    • 0342917473 scopus 로고    scopus 로고
    • note
    • 11 thus the axial sulfoxide exists largely (over 90%) with the sulfur lone pair pointing inside the ring.
  • 28
    • 0342917472 scopus 로고    scopus 로고
    • note
    • ax were determined by measurement below coalescence temperature (assuming linear temperature dependence).
  • 30
    • 0342483174 scopus 로고    scopus 로고
    • Golden Software, Inc., 809 14th St., P.O. Box 281, Golden, CO 80402-0281
    • Surfer version 4.0, Golden Software, Inc., 809 14th St., P.O. Box 281, Golden, CO 80402-0281.
    • Surfer Version 4.0
  • 31
    • 0003478685 scopus 로고
    • Wiley: New York
    • Flory, P. J. Statistical Mechanics of Chain Molecules; Wiley: New York, 1969. See also: López de Compadre, R. L.; Pearlstein, R. A.; Hopfinger, A. J.; Seydel, J. K. J. Med. Chem. 1987, 30, 900.
    • (1969) Statistical Mechanics of Chain Molecules
    • Flory, P.J.1
  • 33
    • 0342917450 scopus 로고    scopus 로고
    • note
    • The ab initio calculations were done with Gamess(US) 6-31G**, with inclusion of electron correlation.
  • 34
    • 0343352595 scopus 로고    scopus 로고
    • personal communication
    • Allinger, N. L., personal communication.
    • Allinger, N.L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.