State of the art and challenges of the ab initio theory of intermolecular interactions

被引：481

作者：

Chalasinski, G

Szczesniak, MM

机构：

[1] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland

[2] Oakland Univ, Dept Chem, Rochester, MI 48309 USA

来源：

CHEMICAL REVIEWS | 2000年 / 100卷 / 11期

关键词：

D O I：

10.1021/cr990048z

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The recent progress in the field of intermolecular interactions is reviewed. First, the current state of the ab initio theory of van der Waals interactions is discussed. Further, some persisting challenges, as well as new avenues, are presented.

引用

页码：4227 / 4252

页数：26

共 222 条

[11]

[Anonymous], 1994, CHEM REV

[12]

[Anonymous], THEORETICAL TREATMEN

[13] State to state Ne-CO rotationally inelastic scattering [J].

Antonova, S ;

Lin, A ;

Tsakotellis, AP ;

McBane, GC .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (24) :11742-11748

[14] ORIENTATIONAL AND SPIN-ORBITAL DEPENDENCE OF INTERATOMIC FORCES [J].

AQUILANTI, V ;

LIUTI, G ;

PIRANI, F ;

VECCHIOCATTIVI, F .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1989, 85 :955-964

[15] PHOTOELECTRON-SPECTROSCOPY OF THE SOLVATED ANION CLUSTERS O-(AR)(N=1-26,34) - ENERGETICS AND STRUCTURE [J].

ARNOLD, ST ;

HENDRICKS, JH ;

BOWEN, KH .

JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (01) :39-47

[16] ROTATIONAL SPECTRA, STRUCTURE, AND DYNAMICS OF AR-M-(H2O)(N) CLUSTERS - AR-2-H2O, AR-3-H2O, AR-(H2O)(2), AND AR-(H2O)(3) [J].

ARUNAN, E ;

EMILSSON, T ;

GUTOWSKY, HS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (18) :8418-8419

[17] Rotational spectra, structures, and dynamics of small Ar-m-(H2O)(n) clusters: The Ar-2-H2O trimer [J].

Arunan, E ;

Dykstra, CE ;

Emilsson, T ;

Gutowsky, HS .

JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (19) :8495-8501

[18] A HIGHLY ACCURATE INTERATOMIC POTENTIAL FOR ARGON [J].

AZIZ, RA .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (06) :4518-4525

[19]

Bader R.F. W., 1994, ATOMS MOL

[20]

BARTLETT RJ, 1995, MODERN ELECT STRUCTU, P1047

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