INTERMOLECULAR INTERACTIONS BETWEEN MEDIUM-SIZED SYSTEMS - NONEMPIRICAL AND EMPIRICAL CALCULATIONS OF INTERACTION ENERGIES - SUCCESSES AND FAILURES

被引：552

作者：

HOBZA, P

ZAHRADNIK, R

机构：

[1] INST HYG & EPIDEMIOL, CS-10042 PRAGUE 10, CZECHOSLOVAKIA

[2] CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-18223 PRAGUE 8, CZECHOSLOVAKIA

来源：

CHEMICAL REVIEWS | 1988年 / 88卷 / 06期

关键词：

D O I：

10.1021/cr00088a004

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：871 / 897

页数：27

共 290 条

[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
SCHARF, P
EHRHARDT, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) : 890 - 898
[2] ABINITIO CALCULATIONS AS A SOURCE OF INTERMOLECULAR POTENTIAL FUNCTIONS - ETHANOL-WATER WITH A MINIMAL BASIS SET
ALAGONA, G
TANI, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) : 3980 - 3988
[3] THE EFFECT OF FULL AND LIMITED COUNTERPOISE CORRECTIONS WITH DIFFERENT BASIS-SETS ON THE ENERGY AND THE EQUILIBRIUM DISTANCE OF HYDROGEN-BONDED DIMERS
ALAGONA, G
GHIO, C
CAMMI, R
TOMASI, J
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, 32 (02) : 207 - 226
[4] THE STRUCTURE AND MOLECULAR-PROPERTIES OF THE ACETYLENE-HCN COMPLEX AS DETERMINED FROM THE ROTATIONAL SPECTRA
ALDRICH, PD
KUKOLICH, SG
CAMPBELL, EJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) : 3521 - 3530
[5] THE ROTATIONAL SPECTRUM, STRUCTURE, AND MOLECULAR-PROPERTIES OF THE ETHYLENE-HCL DIMER
ALDRICH, PD
LEGON, AC
FLYGARE, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (05) : 2126 - 2134
[6] FOURIER-TRANSFORM INFRARED-SPECTRA OF HF COMPLEXES IN SOLID ARGON
ANDREWS, L
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (14) : 2940 - 2949
[7] MATRIX-ISOLATION INVESTIGATION OF THE COMPLEXES OF THE MOLECULAR HALOGENS WITH CYCLOPROPANE AND ITS DERIVATIVES
AULT, BS
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (13) : 2825 - 2829
[8] IMPROVED POTENTIAL FOR KRYPTON
AZIZ, RA
[J]. MOLECULAR PHYSICS, 1979, 38 (01) : 177 - 190
[9] THE ROTATIONAL AND HYPERFINE SPECTRUM AND STRUCTURE OF H2CO-HF
BAIOCCHI, FA
KLEMPERER, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) : 3509 - 3520
[10] CO2-HF - A LINEAR MOLECULE
BAIOCCHI, FA
DIXON, TA
JOYNER, CH
KLEMPERER, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (12) : 6544 - 6549

← 1 2 3 4 5 6 7 8 9 10 →