CAS SCF/CI CALCULATIONS ON SI-4 AND SI-4+

被引：66

作者：

BALASUBRAMANIAN, K

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1987年 / 135卷 / 03期

关键词：

D O I：

10.1016/0009-2614(87)85157-6

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：283 / 287

页数：5

共 27 条

[11] HYDROGEN CHEMISORPTION ON TRANSITION-METAL CLUSTERS [J].

GEUSIC, ME ;

MORSE, MD ;

SMALLEY, RE .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :590-591

[12] THE GROUND-STATE OF SI-3 - 2 NEAR DEGENERATE ISOMERS [J].

GREV, RS ;

SCHAEFER, HF .

CHEMICAL PHYSICS LETTERS, 1985, 119 (2-3) :111-118

[13]

HEATH JR, IN PRESS J CHEM PHYS

[14]

HONIG RE, 1954, J CHEM PHYS, V22, P1610

[15]

LIU B, ALCHEMY 2 PACKAGE

[16] MASS-SPECTRA OF SI, GE, AND SN CLUSTERS [J].

MARTIN, TP ;

SCHABER, H .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (02) :855-858

[17] CONTRACTED GAUSSIAN-BASIS SETS FOR MOLECULAR CALCULATIONS .1. 2ND ROW ATOMS, Z=11-18 [J].

MCLEAN, AD ;

CHANDLER, GS .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) :5639-5648

[18] 2ND ROW HOMOPOLAR DIATOMIC-MOLECULES - POTENTIAL CURVES, SPECTROSCOPIC CONSTANTS, AND DISSOCIATION-ENERGIES AT THE BASIS SET LIMIT FOR SCF AND LIMITED CI WAVE-FUNCTIONS [J].

MCLEAN, AD ;

LIU, B ;

CHANDLER, GS .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (10) :5130-5140

[19] SURFACE-REACTIONS OF METAL-CLUSTERS .2. REACTIVITY SURVEYS WITH D-2,N-2, AND CO [J].

MORSE, MD ;

GEUSIC, ME ;

HEATH, JR ;

SMALLEY, RE .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (05) :2293-2304

[20]

OBRIEN SC, IN PRESS J CHEM PHYS

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