AB-INITIO ELECTRONIC-STRUCTURE CALCULATIONS FOR CLASSICAL AND NONCLASSICAL STRUCTURES OF 2-NORBORNYL CATION

被引：23

作者：

GOETZ, DW ^{[1
]}

SCHLEGEL, HB ^{[1
]}

ALLEN, LC ^{[1
]}

机构：

[1] PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 99卷 / 24期

关键词：

D O I：

10.1021/ja00466a091

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：8118 / 8120

页数：3

共 16 条

[1] EVIDENCE FOR TWISTED NORBORNANES - X-RAY DIFFRACTION AND VALENCE FORCE-FIELD CALCULATIONS [J].

ALTONA, C ;

SUNDARAL.M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (07) :1995-+

[2] EXPLORATIONS IN NONCLASSICAL ION AREA [J].

BROWN, HC .

TETRAHEDRON, 1976, 32 (02) :179-204

[3] THEORETICAL INVESTIGATION OF CORE HOLE STATES OF 2-NORBORNYL CATION [J].

CLARK, DT ;

CROMARTY, BJ ;

COLLING, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (24) :8120-8121

[4] GROUND-STATES OF MOLECULES .34. MINDO-3 CALCULATIONS FOR NONCLASSICAL IONS [J].

DEWAR, MJS ;

HADDON, RC ;

KOMORNICKI, A ;

RZEPA, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (02) :377-385

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[6] MOLECULAR-ORBITAL THEORY OF SIMPLE CARBONIUM-IONS [J].

HARIHARAN, PC ;

LATHAN, WA ;

POPLE, JA .

CHEMICAL PHYSICS LETTERS, 1972, 14 (04) :385-+

[7] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .20. C3H7+ CATIONS WITH A POLARIZED BASIS SET [J].

HARIHARAN, PC ;

RADOM, L ;

POPLE, JA ;

SCHLEYER, PV .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (02) :599-601

[8]

JORGENSEN WL, 1977, TETRAHEDRON LETT, P581

[9] STABLE CARBOCATIONS .150. FOURIER-TRANSFORM C-13 NUCLEAR MAGNETIC-RESONANCE AND X-RAY PHOTOELECTRON SPECTROSCOPIC STUDY OF 2-NORBORNYL CATION [J].

OLAH, GA ;

LIANG, G ;

MATEESCU, GD ;

RIEMENSC.JL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (26) :8698-8702

[10] ELECTRON SPECTROSCOPY OF ORGANIC IONS .2. CARBON IS ELECTRON BINDING-ENERGIES OF NORBORNYL, 2-METHYLNORBORNYL, AND RELATED CATIONS - DIFFERENTIATION BETWEEN NONCLASSICAL CARBONIUM AND CLASSICAL CARBENIUM IONS [J].

OLAH, GA ;

MATEESCU, GD ;

RIEMENSC.JL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (07) :2529-&

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