THE HYDROGEN-BONDING IN H3Y...HX (Y=P,AS-X=CL,BR) COMPLEXES - AN ABINITIO CL STUDY

被引：4

作者：

ALABART, JR

CABALLOL, R

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1987年 / 141卷 / 04期

关键词：

D O I：

10.1016/0009-2614(87)85034-0

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：334 / 338

页数：5

共 41 条

[1]

AGAKI K, 1985, J MOL STRUC-THEOCHEM, V133, P67

[2] INFRARED-SPECTRA OF THE H2S--HF AND H2SE--HF HYDROGEN-BONDED COMPLEXES IN SOLID ARGON [J].

ARLINGHAUS, RT ;

ANDREWS, L .

INORGANIC CHEMISTRY, 1985, 24 (10) :1523-1527

[3] STRUCTURE AND SINGLET-TRIPLET SEPARATION IN SIMPLE GERMYLENES GEH2, GEF2, AND GE(CH3)2 [J].

BARTHELAT, JC ;

ROCH, BS ;

TRINQUIER, G ;

SATGE, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (12) :4080-4085

[4] NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS [J].

BARTHELAT, JC ;

DURAND, P ;

SERAFINI, A .

MOLECULAR PHYSICS, 1977, 33 (01) :159-180

[5] THEORETICAL INVESTIGATIONS ON SOME C2SIH4 ISOMERS [J].

BARTHELAT, JC ;

TRINQUIER, G ;

BERTRAND, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (14) :3785-3789

[6]

BERTHELAT JC, 1978, GAZZ CHIM ITAL, V108, P225

[7]

DAUDEY JP, COMMUNICATION

[8] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J].

DUPUIS, M ;

RYS, J ;

KING, HF .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :111-116

[9] THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS [J].

DURAND, P ;

BARTHELAT, JC .

THEORETICA CHIMICA ACTA, 1975, 38 (04) :283-302

[10] The stark effect from the point of view of Schroedinger's quantum theory [J].

Epstein, PS .

PHYSICAL REVIEW, 1926, 28 (04) :0695-0710

← 1 2 3 4 5 →