LARGE EFFECTS OF MEDIUM ON GEOMETRIES - AN AB-INITIO STUDY

被引:71
作者
JIAO, HJ [1 ]
SCHLEYER, PV [1 ]
机构
[1] UNIV ERLANGEN NURNBERG,CENTRUM COMP CHEM,INST ORGAN CHEM,D-91054 ERLANGEN,GERMANY
关键词
D O I
10.1021/ja00095a065
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:7429 / 7430
页数:2
相关论文
共 14 条
[1]   SOLVATION EFFECTS ON GEOMETRY AND CHEMICAL-SHIFTS - AN ABINITIO IGLO RECONCILIATION OF APPARENT EXPERIMENTAL INCONSISTENCIES ON H3B.NH3 [J].
BUHL, M ;
STEINKE, T ;
SCHLEYER, PV ;
BOESE, R .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1991, 30 (09) :1160-1161
[2]   UNUSUALLY LARGE GAS-SOLID STRUCTURE DIFFERENCES - A CRYSTALLOGRAPHIC STUDY OF HCN-BF3 [J].
BURNS, WA ;
LEOPOLD, KR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (24) :11622-11623
[3]  
CREMER D, 1993, ISR J CHEM, V33, P369
[4]   VANDERWAALS VS COVALENT BONDING - MICROWAVE CHARACTERIZATION OF A STRUCTURALLY INTERMEDIATE CASE [J].
DVORAK, MA ;
FORD, RS ;
SUENRAM, RD ;
LOVAS, FJ ;
LEOPOLD, KR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (01) :108-115
[5]  
Foresman J. B., 1993, EXPLORING CHEM ELECT
[6]  
Frisch M. J, 1992, GAUSSIAN 92
[7]  
Hehre W.J., 1986, AB INITIO MOL ORBITA
[8]   ACID-RAIN - AB-INITIO INVESTIGATION OF THE H2O-CENTER-DOT-SO3 COMPLEX AND ITS CONVERSION INTO H2SO4 [J].
HOFMANN, M ;
SCHLEYER, PV .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (11) :4947-4952
[9]   SYNTHESIS, MICROWAVE-SPECTRUM, AND STRUCTURE OF ARBF3, BF3CO, AND N2BF3 [J].
JANDA, KC ;
BERNSTEIN, LS ;
STEED, JM ;
NOVICK, SE ;
KLEMPERER, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (26) :8074-8079
[10]   2 VERY DIFFERENT B ... N BOND DISTANCES - ELECTRONIC-STRUCTURE CALCULATIONS ON BF3 ... NCCN AND BF3 ... NCCH3 [J].
JURGENS, R ;
ALMLOF, J .
CHEMICAL PHYSICS LETTERS, 1991, 176 (3-4) :263-265