AROMATICITY IN SMALL RINGS CONTAINING BORON AND CARBON ((CH)2(BH)N, N=1,2) - COMPARISONS WITH ISOELECTRONIC CARBOCATIONS - THE DECISIVE ROLES OF ORBITAL MIXING AND NONBONDED 1,3-INTERACTIONS IN THE STRUCTURES OF 4-MEMBERED RINGS

被引：158

作者：

KROGHJESPERSEN, K

CREMER, D

DILL, JD

POPLE, JA

SCHLEYER, PV

机构：

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

[2] UNIV COLOGNE,LEHRSTUHL THEORET CHEM,D-5000 COLOGNE 41,FED REP GER

[3] UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND

[4] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1981年 / 103卷 / 10期

关键词：

D O I：

10.1021/ja00400a018

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：2589 / 2594

页数：6

相关论文

共 64 条

[11] BINKLEY JS, QCPE368 IND U PROGR
[12] CHANDRASEKHAR J, J COMPUT CHEM
[13] ABINITIO CALCULATIONS OF EQUILIBRIUM STRUCTURE OF CYCLOBUTANE
CREMER, D
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) : 1307 - 1309
[14] THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .2. HYDROGEN TRIOXIDE - MODEL COMPOUND FOR STUDYING CONFORMATIONAL MODES OF GEMINAL DOUBLE ROTORS AND 5 MEMBERED RINGS
CREMER, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) : 4456 - 4471
[15] THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE
CREMER, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) : 4440 - 4445
[16] CREMER D, UNPUBLISHED
[17] CREMER D, 1975, S THEORETISCHE CHEM, P13
[18] VARIANCE ALGORITHM FOR MINIMIZATION
DAVIDON, WC
[J]. COMPUTER JOURNAL, 1968, 10 (04) : 406 - &
[19] GROUND-STATES OF MOLECULES .47. MNDO STUDIES OF BORON HYDRIDES AND BORON HYDRIDE ANIONS
DEWAR, MJS
MCKEE, ML
[J]. INORGANIC CHEMISTRY, 1978, 17 (06) : 1569 - 1581
[20] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON
DILL, JD
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (07) : 2921 - 2923

← 1 2 3 4 5 6 7 →