ABINITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT - THE MOLECULAR-STRUCTURES OF SOME HYDROGEN-FLUORIDE CLUSTERS

被引：22

作者：

SWEPSTON, PN

COLBY, S

SELLERS, HL

SCHAFER, L

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 72卷 / 02期

关键词：

D O I：

10.1016/0009-2614(80)80308-3

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

页码：364 / 367

页数：4

共 31 条

[1] FITTING AN AB-INITIO HF-HF POTENTIAL SURFACE [J].

ALEXANDER, MH ;

DEPRISTO, AE .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (11) :5009-5016

[2] THE CRYSTAL STRUCTURE OF HYDROGEN FLUORIDE [J].

ATOJI, M ;

LIPSCOMB, WN .

ACTA CRYSTALLOGRAPHICA, 1954, 7 (02) :173-175

[3] ABINITIO CALCULATION OF FORCE-FIELD OF HYDROGEN-FLUORIDE DIMER [J].

CURTISS, LA ;

POPLE, JA .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (01) :1-10

[4]

DELBENE JE, 1971, J CHEM PHYS, V55, P2296, DOI 10.1063/1.1676408

[5] SCF MO LCGO studies on hydrogen bonding: The hydrogen fluoride dimer [J].

Diercksen, Geerd H. F. ;

Eraemer, Wolfgang P. .

CHEMICAL PHYSICS LETTERS, 1970, 6 (05) :419-422

[6] SYSTEMATIC STUDY OF 9 HYDROGEN-BONDED DIMERS INVOLVING NH3, OH2, AND HF [J].

DILL, JD ;

ALLEN, LC ;

TOPP, WC ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (25) :7220-7226

[7] RADIOFREQUENCY AND MICROWAVE-SPECTRUM OF HYDROGEN-FLUORIDE DIMER - NONRIGID MOLECULE [J].

DYKE, TR ;

HOWARD, BJ ;

KLEMPERER, W .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2442-+

[8] NUCLEAR MAGNETIC RESONANCE DATA ON PROTON POSITIONS IN SOLID HF [J].

HABUDA, SP ;

GAGARINS.YV .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1971, B 27 (AUG15) :1677-&

[9] EFFECT OF D-FUNCTIONS ON MOLECULAR-ORBITAL ENERGIES FOR HYDROCARBONS [J].

HARIHARAN, PC ;

POPLE, JA .

CHEMICAL PHYSICS LETTERS, 1972, 16 (02) :217-+

[10] ELECTRON-DIFFRACTION STRUCTURAL STUDY OF POLYMERIC GASEOUS HYDROGEN FLUORIDE [J].

JANZEN, J ;

BARTELL, LS .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (08) :3611-&

← 1 2 3 4 →