QUANTUM CHEMICAL CALCULATIONS ON SI4H4

被引：38

作者：

SAX, AF

KALCHER, J

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1987年 / 11期

关键词：

D O I：

10.1039/c39870000809

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：809 / 810

页数：2

相关论文

共 17 条

[1] CYCLOBUTADIENE [J].

BALLY, T ;

MASAMUNE, S .

TETRAHEDRON, 1980, 36 (03) :343-370

[2] TETRASILATETRAHEDRANE [J].

CLABO, DA ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (15) :4344-4346

[3] ABINITIO HEATS OF FORMATION OF MEDIUM-SIZED HYDROCARBONS .2. USE OF 2ND-ORDER CORRELATION ENERGIES [J].

DISCH, RL ;

SCHULMAN, JM ;

SABIO, ML .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (07) :1904-1906

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

DUPUIS, M ;

RYS, J ;

KING, HF .

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

[5] ALTERNATIVE APPROACH TO PROBLEM OF ASSESSING DESTABILIZATION ENERGIES (STRAIN ENERGIES) IN CYCLIC HYDROCARBONS [J].

GEORGE, P ;

TRACHTMAN, M ;

BOCK, CW ;

BRETT, AM .

TETRAHEDRON, 1976, 32 (03) :317-323

[6] POTENTIAL-ENERGY SURFACES OF CYCLOBUTADIENE - ABINITIO SCF AND CI CALCULATIONS FOR LOW-LYING SINGLET AND TRIPLET-STATES [J].

JAFRI, JA ;

NEWTON, MD .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (16) :5012-5017

[7]

JANOSCHEK R, 1983, ISRAEL J CHEM, V23, P58

[8] NUMERICAL-INTEGRATION USING RYS POLYNOMIALS [J].

KING, HF ;

DUPUIS, M .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 21 (02) :144-165

[9] THEORETICAL-STUDY OF STRUCTURE OF CYCLOBUTADIENE [J].

KOLLMAR, H ;

STAEMMLER, V .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (11) :3583-3587

[10] CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].

LANGHOFF, SR ;

DAVIDSON, ER .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :61-72