STRUCTURES OF SOME FLUORINATED BENZENES DETERMINED BY ABINITIO COMPUTATION

被引:76
作者
BOGGS, JE
PANG, F
PULAY, P
机构
关键词
D O I
10.1002/jcc.540030309
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:344 / 353
页数:10
相关论文
共 37 条
[1]   MOLECULAR STRUCTURE OF HEXAFLUOROBENZENE - APPLICATION OF LEAST-SQUARES CALCULATION ON ELECTTON DIFFRACTION INTENSITY DATA [J].
ALMENNINGEN, A ;
BASTIANSEN, O ;
SEIP, R ;
SEIP, HM .
ACTA CHEMICA SCANDINAVICA, 1964, 18 (09) :2115-+
[2]   MICROWAVE DETERMINATION OF THE STRUCTURE OF FLUOROBENZENE [J].
BAK, B ;
CHRISTENSEN, D ;
HANSENNYGAARD, L ;
TANNENBAUM, E .
JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (01) :134-137
[3]  
BAUER SH, 1968, STRUCTURAL CHEM MOL, P653
[5]  
BOGGS JE, UNPUB
[6]  
BOGGS JE, 1981, J MOL STRUC-THEOCHEM, V76, P329
[7]  
CALLOMON JH, 1976, NUMERICAL DATA FUNCT, V7
[8]   DIPOLE-MOMENT, ISOMERIZATION, AND INTRAMOLECULAR HYDROGEN-BOND IN SOME BENZENE-DERIVATIVES (COMPUTATIONS) [J].
CATALAN, J ;
MACIAS, A .
JOURNAL OF MOLECULAR STRUCTURE, 1977, 38 (MAY) :209-220
[9]   NMR-SPECTRA OF META-DIFLUOROBENZENE IN NEMATIC SOLVENTS - MOLECULAR GEOMETRY AND ANISOTROPY OF INDIRECT FLUORINE-FLUORINE COUPLING [J].
DENOTTER, GJ ;
GERRITSEN, J ;
MACLEAN, C .
JOURNAL OF MOLECULAR STRUCTURE, 1973, 16 (03) :379-387
[10]   GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917