LINEAR BENDING IN PROPYNYL CATION, ALLENE, AND PROPYNE SYSTEMS - DO THEY HAVE FLEXIBLE STRUCTURES - AN ABINITIO 4-31+G MOLECULAR-ORBITAL STUDY

被引：9

作者：

ANDRES, J ^{[1
]}

CARDENAS, R ^{[1
]}

TAPIA, O ^{[1
]}

机构：

[1] SWEDISH UNIV AGR SCI,UPPSALA BIOMED CTR,DEPT MOLEC BIOL,BOX 590,S-75124 UPPSALA,SWEDEN

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1985年 / 03期

关键词：

D O I：

10.1039/p29850000363

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：363 / 366

页数：4

共 11 条

[1] QUANTUM-CHEMICAL STUDIES OF THE ENERGY HYPERSURFACE FOR THE MEYER-SCHUSTER REARRANGEMENT - STO-3G CALCULATION OF MINIMUM-ENERGY PATHS - INTERMOLECULAR MECHANISM [J].

ANDRES, J ;

SILLA, E ;

TAPIA, O .

CHEMICAL PHYSICS LETTERS, 1983, 94 (02) :193-197

[2]

ANDRES J, 1983, J MOL STRUC-THEOCHEM, V105, P49

[3]

ANDRES J, 1984, J MOL STRUCT, V107, P211

[4] STEROIDAL C-17 ALLENE ACETATES AND THEIR 17(20)-UNSATURATED C-21 ALDEHYDE DERIVATIVES [J].

BENN, WR .

JOURNAL OF ORGANIC CHEMISTRY, 1968, 33 (08) :3113-&

[5] EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES [J].

CHANDRASEKHAR, J ;

ANDRADE, JG ;

SCHLEYER, PV .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (18) :5609-5612

[6] OPTIMALLY CONDITIONED OPTIMIZATION ALGORITHMS WITHOUT LINE SEARCHES [J].

DAVIDON, WC .

MATHEMATICAL PROGRAMMING, 1975, 9 (01) :1-30

[7] VIBRATIONAL SPECTRA AND ASSIGNMENT OF ACETONE ALPHAALPHAALPHA ACETONE-D3 AND ACETONE-D6 [J].

DELLEPIANE, G ;

OVEREND, J .

SPECTROCHIMICA ACTA, 1966, 22 (04) :593-+

[8] MECHANISM OF MEYER-SCHUSTER REARRANGEMENT [J].

EDENS, M ;

BOERNER, D ;

CHASE, CR ;

NASS, D ;

SCHIAVELLI, MD .

JOURNAL OF ORGANIC CHEMISTRY, 1977, 42 (21) :3403-3408

[9] ALLENES .1. THE REARRANGEMENT OF PROP-2-YNYL ACETATES [J].

LANDOR, PD ;

LANDOR, SR .

JOURNAL OF THE CHEMICAL SOCIETY, 1956, (APR) :1015-1019

[10] THE ABINITIO GRADIENT REVOLUTION IN STRUCTURAL CHEMISTRY - THE IMPORTANCE OF LOCAL MOLECULAR GEOMETRIES AND THE EFFICACY OF JOINT QUANTUM-MECHANICAL AND EXPERIMENTAL PROCEDURES [J].

SCHAFER, L .

JOURNAL OF MOLECULAR STRUCTURE, 1983, 100 (JUL) :51-73

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