JAHN-TELLER DISTORTIONS IN SIH4+, GEH4+, SNH4+ RADICAL CATIONS AN ABINITIO CI STUDY

被引：36

作者：

CABALLOL, R

CATALA, JA

POBLET, JM

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 130卷 / 04期

关键词：

D O I：

10.1016/0009-2614(86)80469-9

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：278 / 284

页数：7

共 37 条

[1] 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

[2] 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

[3] ANALYTICAL RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATIONS FOR ATOMS [J].

BARTHELAT, JC ;

PELISSIER, M ;

DURAND, P .

PHYSICAL REVIEW A, 1980, 21 (06) :1773-1785

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

BARTHELAT, JC ;

TRINQUIER, G ;

BERTRAND, G .

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

[5] PHOTOELECTRON-SPECTRA AND MOLECULAR-PROPERTIES .51. IONIZATION-POTENTIALS OF SILANES SINH2N+2 [J].

BOCK, H ;

ENSSLIN, W ;

FEHER, F ;

FREUND, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (03) :668-674

[6]

CALLOMON JH, 1976, LANDOLTBORNSTEIN, V7

[7]

DELAVEGA JMG, 1983, J MOL STRUCT, V105, P31

[8]

DELAVEGA JMG, 1985, J MOL STRUC-THEOCHEM, V123, P203

[9] A MNDO STUDY OF TIN RADICAL CATIONS .71. [J].

DEWAR, MJS ;

GRADY, GL ;

KUHN, DR .

ORGANOMETALLICS, 1985, 4 (06) :1041-1044

[10] GROUND-STATES OF MOLECULES .68. MNDO CALCULATIONS FOR COMPOUNDS CONTAINING TIN [J].

DEWAR, MJS ;

GRADY, GL ;

STEWART, JJP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (22) :6771-6773

← 1 2 3 4 →