ROLE OF ELECTRON CORRELATION AND POLARIZATION FUNCTIONS IN THE ENERGY DIFFERENCE BETWEEN CIS-1,2-DIFLUOROETHYLENE AND TRANS-1,2-DIFLUOROETHYLENE

被引：33

作者：

GANDHI, SR

BENZEL, MA

FUKUNAGA, T

DYKSTRA, CE

机构：

[1] UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA

[2] DUPONT CO, DEPT CENT RES & DEV, EXPTL STN, WILMINGTON, DE 19898 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 16期

关键词：

D O I：

10.1021/j100213a013

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：3121 / 3126

页数：6

共 52 条

[31]

DYKSTRA CE, 1980, QCPE, V11, P388

[32]

DYKSTRA CE, UNPUB CHEM PHYS LETT

[33] ATTRACTIVE NONBONDED INTERACTIONS IN ORGANIC-MOLECULES [J].

EPIOTIS, ND .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (10) :3087-3096

[34] SINGLE-CONFIGURATION WAVEFUNCTIONS AND POTENTIAL CURVES FOR LOW-LYING STATES OF HE2+,NE2+,AR2+,F2-,CL2- AND GROUND STATE OF CL2 [J].

GILBERT, TL ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) :5247-&

[35] SUBSTITUENT EFFECTS AND CIS-TRANS ISOMERIZATION OF DIAZENES [J].

HOWELL, JM ;

KIRSCHENBAUM, LJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (04) :877-885

[36] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[37]

JORGENSEN WL, 1977, QCPE, V10, P340

[38] MICROWAVE SPECTRUM STRUCTURE, AND DIPOLE MOMENT OF CIS -N2F2 [J].

KUCZKOWSKI, RL ;

WILSON, EB .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (04) :1030-&

[39] MICROWAVE SPECTRA AND STRUCTURES OF DIFLUOROETHYLENES [J].

LAURIE, VW ;

PENCE, DT .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2693-&

[40] MICROWAVE SPECTRUM OF CIS-DIFLUOROETHYLENE - STRUCTURES AND DIPOLE MOMENTS OF FLUOROETHYLENES [J].

LAURIE, VW .

JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (01) :291-&

← 1 2 3 4 5 6 →