VALENCE ELECTRONIC-STRUCTURE AND INTERNAL-ROTATION BARRIER OF MOLECULES XH-3YH-3(X,Y=C,SI,GE) BY A PSEUDOPOTENTIAL METHOD

被引：25

作者：

NICOLAS, G ^{[1
]}

BARTHELAT, JC ^{[1
]}

DURAND, P ^{[1
]}

机构：

[1] UNIV PAUL SABATIER,LAB PHYS QUANTIQUE,31077 TOULOUSE,FRANCE

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 06期

关键词：

D O I：

10.1021/ja00422a010

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1346 / 1350

页数：5

共 45 条

[1]

Bardsley J. N., 1974, Case Studies in Atomic Physics, V4, P299

[2] PSEUDOPOTENTIAL AND LOCAL MOLECULAR-ORBITALS - STUDY OF VALENCE PROPERTIES OF XH4 MOLECULES (X=C, SI, GE, SN, PB) [J].

BARTHELA.JC ;

DURAND, P .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1974, 71 (04) :505-510

[3] PSEUDOPOTENTIALS AND LOCALIZED MOLECULAR-ORBITALS - APPLICATION TO METHANE MOLECULE [J].

BARTHELAT, JC ;

DURAND, P .

CHEMICAL PHYSICS LETTERS, 1972, 16 (01) :63-+

[4] PSEUDOPOTENTIAL AND DELOCALIZED MOLECULAR-ORBITALS - APPLICATION TO METHANE, ETHYLENE AND ACETYLENE MOLECULES [J].

BARTHELAT, JC ;

DURAND, P .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1974, 71 (7-8) :1105-1109

[5]

BARTHELAT JC, 1974, 5E COLL INT CHIM THE

[6] STUDY OF ETHANE INTERNAL-ROTATION BARRIER [J].

CHRISTIANSEN, PA ;

PALKE, WE .

CHEMICAL PHYSICS LETTERS, 1975, 31 (03) :462-466

[7] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[8] PSEUDOPOTENTIAL SCF METHOD FOR VALENCE-ONLY MOLECULAR CALCULATIONS [J].

COFFEY, P ;

EWIG, CS ;

VANWAZER, JR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (07) :1656-1662

[9] MICROWAVE SPECTRUM AND STRUCTURE OF GERMYL SILANE [J].

COX, AP ;

VARMA, R .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :2007-&

[10]

DAUDEY JP, 1975, LOCALIZATION DELOCAL, V1, P155

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