ABINITIO 2ND-ORDER MOLLER-PLESSET CALCULATION OF THE VIBRATIONAL-SPECTRUM OF TETRAHEDRANE

被引：32

作者：

HESS, BA

SCHAAD, LJ

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1985年 / 107卷 / 04期

关键词：

D O I：

10.1021/ja00290a022

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：865 / 866

页数：2

共 21 条

[1] SYNTHESIS OF METHYLENECYCLOPROPENE [J].

BILLUPS, WE ;

LIN, LJ ;

CASSERLY, EW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (12) :3698-3699

[2] POTENTIAL SURFACES FOR LOWEST SINGLET AND TRIPLET-STATES OF CYCLOBUTADIENE [J].

BORDEN, WT ;

DAVIDSON, ER ;

HART, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (02) :388-392

[3]

CALIFANO S, 1976, VIBRATIONAL STATES, pCH4

[4] USE OF MOLECULAR SYMMETRY IN 2-ELECTRON INTEGRAL TRANSFORMATION - AN MP2 PROGRAM COMPATIBLE WITH HONDO-5 [J].

CARSKY, P ;

HESS, BA ;

SCHAAD, LJ .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (03) :280-287

[5] PHOTOCHEMICAL TRANSFORMATIONS .48. CYCLOBUTADIENE [J].

CHAPMAN, OL ;

MCINTOSH, CL ;

PACANSKY, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) :614-617

[6] ABINITIO THEORETICAL FREQUENCIES AND INTENSITIES IN THE INTERPRETATION OF INFRARED-SPECTRA [J].

HESS, BA ;

SCHAAD, LJ ;

POLAVARAPU, PL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (16) :4348-4352

[7] ABINITIO 2ND ORDER MOLLER-PLESSET CALCULATION OF THE VIBRATIONAL-SPECTRA OF CYCLOBUTADIENE AND ITS ISOTOPIC DERIVATIVES [J].

HESS, BA ;

CARSKY, P ;

SCHAAD, LJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (04) :695-701

[8]

HESS BA, J AM CHEM SOC

[9]

HESS BA, 1983, PURE APPL CHEM, V55, P255

[10] 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

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