MOLECULAR MODELING OF THE PHYSICAL-PROPERTIES OF THE ALKANES

被引:355
作者
NEEDHAM, DE
WEI, IC
SEYBOLD, PG
机构
[1] WRIGHT STATE UNIV,DEPT CHEM,DAYTON,OH 45435
[2] WRIGHT STATE UNIV,DEPT BIOCHEM,DAYTON,OH 45435
关键词
D O I
10.1021/ja00221a015
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4186 / 4194
页数:9
相关论文
共 81 条
[1]  
[Anonymous], 1983, CHEM GRAPH THEORY
[2]  
BALABAN AT, 1983, TOP CURR CHEM, V114, P21
[3]  
BALABAN AT, 1976, CHEM APPLICATIONS GR
[4]   COMPARATIVE-STUDY OF LIPOPHILICITY VERSUS TOPOLOGICAL MOLECULAR DESCRIPTORS IN BIOLOGICAL CORRELATIONS [J].
BASAK, SC ;
HARRISS, DK ;
MAGNUSON, VR .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1984, 73 (04) :429-437
[5]  
BASAK SC, 1986, MATH MODELLING SCI T
[6]   ADDITIVITY RULES FOR ESTIMATION OF THERMOCHEMICAL PROPERTIES [J].
BENSON, SW ;
CRUICKSHANK, FR ;
GOLDEN, DM ;
HAUGEN, GR ;
ONEAL, HE ;
RODGERS, AS ;
SHAW, R ;
WALSH, R .
CHEMICAL REVIEWS, 1969, 69 (03) :279-+
[7]  
BONCHEV D, 1983, INFORMATION THEORETI
[8]   VAN DER WAALS VOLUMES + RADII [J].
BONDI, A .
JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (03) :441-+
[9]  
BRUHL JW, 1891, Z PHYS CHEM, V7, P140
[10]  
CHARTON M, 1983, TOP CURR CHEM, V114, P107