CYCLOHEPTATRIENYLIDENE SINGLET-TRIPLET ENERGETICS - THEORY RESPONDS

被引：17

作者：

JANSSEN, CL ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1987年 / 109卷 / 16期

关键词：

D O I：

10.1021/ja00250a049

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5030 / 5031

页数：2

共 11 条

[1] STRUCTURE AND ENERGETICS OF SIMPLE CARBENES CH2, CHF, CHCL, CHBR, CF2, AND CCL2 [J].

BAUSCHLICHER, CW ;

SCHAEFER, HF ;

BAGUS, PS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (22) :7106-7110

[2] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[3] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[4] CYCLOHEPTATRIENYLIDENE [J].

JONES, WM ;

ENNIS, CL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (23) :6391-&

[5] ELECTRON-SPIN-RESONANCE OBSERVATION OF THERMALLY PRODUCED TRIPLET NITRENES AND PHOTOCHEMICALLY PRODUCED TRIPLET CYCLOHEPTATRIENYLIDENES [J].

KUZAJ, M ;

LUERSSEN, H ;

WENTRUP, C .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1986, 25 (05) :480-482

[6] TOWARD THE LABORATORY IDENTIFICATION OF CYCLOPROPENYLIDENE [J].

LEE, TJ ;

BUNGE, A ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (01) :137-142

[7] TRIPLET GROUND-STATE CYCLOHEPTATRIENYLIDENE [J].

MCMAHON, RJ ;

CHAPMAN, OL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (07) :1713-1714

[8] C2V POTENTIAL ENERGY SURFACES FOR 7 LOW-LYING STATES OF CH2 [J].

ONEIL, SV ;

SCHAEFER, HF ;

BENDER, CF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (01) :162-&

[9]

RADOM L, 1980, NOUV J CHIM, V4, P411

[10] METHYLENE - A PARADIGM FOR COMPUTATIONAL QUANTUM-CHEMISTRY [J].

SCHAEFER, HF .

SCIENCE, 1986, 231 (4742) :1100-1107

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