PREDICTIONS OF (3)J(HH) NEAR 180-DEGREES - REPARAMETERIZATION OF THE SP(3)-SP(3) EQUATION

被引:33
作者
SMITH, WB [1 ]
BARFIELD, M [1 ]
机构
[1] UNIV ARIZONA,DEPT CHEM,TUCSON,AZ 85721
关键词
D O I
10.1002/mrc.1260310719
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:696 / 697
页数:2
相关论文
共 5 条
[1]   LONG-RANGE PROTON SPIN-SPIN COUPLING [J].
BARFIELD, M ;
CHAKRABA.B .
CHEMICAL REVIEWS, 1969, 69 (06) :757-+
[2]   INTERNAL H-C-C ANGLE DEPENDENCE OF VICINAL H-1-H-1 COUPLING-CONSTANTS [J].
BARFIELD, M ;
SMITH, WB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (05) :1574-1581
[3]  
FRISCH MJ, 1990, GAUSSIAN 90
[4]  
Gajewski JJ, 1990, ADV MOL MODELING, V2, P65
[5]   THE RELATIONSHIP BETWEEN PROTON-PROTON NMR COUPLING-CONSTANTS AND SUBSTITUENT ELECTRONEGATIVITIES .1. AN EMPIRICAL GENERALIZATION OF THE KARPLUS EQUATION [J].
HAASNOOT, CAG ;
DELEEUW, FAAM ;
ALTONA, C .
TETRAHEDRON, 1980, 36 (19) :2783-2792