SPECIAL ISSUE - MOPAC - A SEMIEMPIRICAL MOLECULAR-ORBITAL PROGRAM

被引:2884
作者
STEWART, JJP
机构
[1] Frank J. Seiler Research Laboratory, U.S. Air Force Academy, Colorado Springs, 80840, CO
关键词
D O I
10.1007/BF00128336
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
[No abstract available]
引用
收藏
页码:1 / 45
页数:45
相关论文
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[1]  
Clark T., A Handbook of Computational Chemistry, (1985)
[2]  
Dewar M.J.S., Thiel W., J. Am. Chem. Soc., 99, (1977)
[3]  
Bingham R.C., Dewar M.J.S., Lo D.H., J. Am. Chem. Soc., 97, (1975)
[4]  
Dewar M.J.S., Zoebisch E.G., Healy E.F., Stewart J.J.P., J. Am. Chem. Soc., 107, (1985)
[5]  
Fletcher R., Powell M.J.D., Comput. J., 6, (1966)
[6]  
Broyden C.G., Journal Inst. Mathem. Appl., 6, (1970)
[7]  
Komornicki A.K., McIver J.W., Chem. Phys. Lett., 10, (1971)
[8]  
Simons J., Jorgensen P., Taylor H., Ozment J., J. Phys. Chem., 87, (1983)
[9]  
Truhlar D.G., Steckler R., Gordon M.S., Chem. Rev., 87, (1987)
[10]  
Stewart J.J.P., Optimization of parameters for semiempirical methods I. Method, Journal of Computational Chemistry, 10, (1989)