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Volumn 11, Issue 7, 1990, Pages 868-895

Molecular mechanics (MM3) calculations on conjugated hydrocarbons

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84986471219     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540110709     Document Type: Article
Times cited : (228)

References (81)
  • 1
    • 84986457764 scopus 로고
    • Taken mainly from the Ph.D. dissertation of L.Y. submitted to the University of Georgia in partial fulfillment of the Ph.D. degree
    • (1990)
  • 2
    • 84986457759 scopus 로고    scopus 로고
    • Allinger and Yan are with the University of Georgia.
  • 3
    • 84986457767 scopus 로고    scopus 로고
    • Li is currently at Syntex, 3401 Hillway Ave., Palo Alto, CA 94304.
  • 5
    • 84986459576 scopus 로고    scopus 로고
    • a. The MM2 force field for hydrocarbons was first described in reference 5(b). Extensions to functionalzed molecules and other special problems were described in subsequent papers, which are summarized in reference 4. The original version of the program (MM277) is available from the Quantum Chemistry Program Exchange, University of Indiana, Bloomington, Indiana 47405, Program 395. The latest version of the MM2 program, which is referred to as MM2(87), is available to academic users from the Quantum Chemistry Program Exchange, and to commercial users from Molecular Design Limited, 2132 Farallon Drive, San Leandro, California 94577.
  • 11
    • 84986427699 scopus 로고    scopus 로고
    • The MM3 program is available from the Technical Utilization Corporation, Inc., 235 Glen Village Court, Powell, Ohio 43065, and from Molecular Design Limited, 2132 Farallon Drive, San Leandro, California 94577.
  • 23
    • 84986459618 scopus 로고    scopus 로고
    • There are available standard methods for the calculation of induced dipole moments in molecules which do not contain conjugation, and those methods could be extended to the conjugated case. This extension is somewhat complicated, and has not yet been made.
  • 26
    • 84986437400 scopus 로고    scopus 로고
    • We are indebted to Dr. Dale Spangler for suggesting this method to us, and to Dr. Ahammadunny Pathiaseril for programming this procedure.
  • 48
    • 0001741003 scopus 로고
    • The Single and Double Bonds Between sp2-Hydridized Carbon Atoms, as Studied by the Gas Electron Diffraction Method. VIII. The Molecular Structure of 1,3-Cycloheptadiene.
    • (1972) Acta Chemica Scandinavica , vol.26 , pp. 3643
    • Hagen, K.1    Traetteberg, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.