MOLECULAR-ORBITAL THEORY OF THE ELECTRONIC-STRUCTURE OF ORGANIC-MOLECULES .40. STRUCTURES AND ENERGIES OF C-1-C-3 CARBOCATIONS, INCLUDING EFFECTS OF ELECTRON CORRELATION

被引：461

作者：

RAGHAVACHARI, K

WHITESIDE, RA

POPLE, JA

SCHLEYER, PV

机构：

[1] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

[2] UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, FED REP GER

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1981年 / 103卷 / 19期

关键词：

D O I：

10.1021/ja00409a004

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5649 / 5657

页数：9

共 50 条

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ATTINA, M
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[2] HEATS OF FORMATION OF C3H5+ IONS - ALLYL, VINYL, AND CYCLOPROPYL CATIONS IN GAS-PHASE PROTON-TRANSFER REACTIONS
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (21) : 6700 - 6702
[3] AUE DH, 1979, GAS PHASE ION CHEM, V2, P91
[4] GAS-PHASE HEATS OF FORMATION OF C2H5+ AND C3H7+
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (07) : 2482 - 2483
[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947
[6] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
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[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) : 229 - 236
[7] ENERGY BARRIERS FOR ISOMERIZATION OF GASEOUS C3H5+ IONS
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) : 4681 - 4683
[8] C3H5+ ISOMERS - EVIDENCE FOR THE EXISTENCE OF LONG-LIVED ALLYL AND 2-PROPENYL CATIONS IN THE GAS-PHASE
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (14) : 4830 - 4832
[9] HEATS OF FORMATION OF PROTONATED CYCLOPROPANE, METHYLCYCLOPROPANE, AND ETHANE
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (18) : 6347 - &
[10] CH+ in interstellar space and in the laboratory.
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[J]. ASTROPHYSICAL JOURNAL, 1941, 94 (02) : 381 - 381

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