NATURAL BOND ORBITAL ANALYSIS OF MOLECULAR-INTERACTIONS - THEORETICAL-STUDIES OF BINARY COMPLEXES OF HF, H2O, NH3, N-2, O-2, F2, CO, AND CO2 WITH HF, H2O, AND NH3

被引:523
作者
REED, AE
WEINHOLD, F
CURTISS, LA
POCHATKO, DJ
机构
[1] UNIV WISCONSIN, DEPT CHEM, MADISON, WI 53706 USA
[2] ARGONNE NATL LAB, DIV CHEM TECHNOL, MAT SCI & TECHNOL PROGRAM, ARGONNE, IL 60439 USA
关键词
D O I
10.1063/1.449928
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
收藏
页码:5687 / 5705
页数:19
相关论文
共 91 条
[2]   FTIR OBSERVATION OF N=N STRETCHING FUNDAMENTALS IN HYDROGEN-BONDED COMPLEXES IN SOLID ARGON [J].
ANDREWS, L ;
DAVIS, SR .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (10) :4983-4989
[3]   THE ROTATIONAL AND HYPERFINE SPECTRUM AND STRUCTURE OF H2CO-HF [J].
BAIOCCHI, FA ;
KLEMPERER, W .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :3509-3520
[4]   DO ELECTROSTATIC INTERACTIONS PREDICT STRUCTURES OF VAN DER WAALS MOLECULES - COMMENTS [J].
BAIOCCHI, FA ;
REIHER, W ;
KLEMPERER, W .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) :6428-6429
[5]   CO2-HF - A LINEAR MOLECULE [J].
BAIOCCHI, FA ;
DIXON, TA ;
JOYNER, CH ;
KLEMPERER, W .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (12) :6544-6549
[6]  
BAIOCCHI FA, 1982, FARADAY DISCUSS, V73, P126
[8]   CORRECTION [J].
BENZEL, MA .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3510-3511
[9]   THE NATURE OF HYDROGEN-BONDING IN THE NN-HF, OC-HF, AND HCN-HF COMPLEXES [J].
BENZEL, MA ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :4052-4062
[10]   CONFORMATIONAL ENERGETICS IN HYDROGEN-BONDED DIMERS - THE UNOBSERVED CO-HF COMPLEX [J].
BENZEL, MA ;
DYKSTRA, CE .
CHEMICAL PHYSICS, 1983, 80 (03) :273-278