ROTATIONAL BARRIERS .2. ENERGIES OF ALKANE ROTAMERS - AN EXAMINATION OF GAUCHE INTERACTIONS

被引:211
作者
WIBERG, KB
MURCKO, MA
机构
关键词
D O I
10.1021/ja00232a012
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:8029 / 8038
页数:10
相关论文
共 54 条
[1]   THE TORSIONAL POTENTIAL FUNCTION FOR NORMAL-BUTANE [J].
ALLINGER, NL ;
PROFETA, S .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (02) :181-184
[2]   THE THERMODYNAMIC PROPERTIES AND MOLECULAR STRUCTURE OF CYCLOHEXANE, METHYLCYCLOHEXANE, ETHYLCYCLOHEXANE AND THE 7 DIMETHYLCYCLOHEXANES [J].
BECKETT, CW ;
PITZER, KS ;
SPITZER, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1947, 69 (10) :2488-2495
[3]   MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].
BINKLEY, JS ;
POPLE, JA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236
[4]   EXPERIMENTAL-DETERMINATION OF THE CONFORMATIONAL FREE-ENERGY - ENTHALPY, AND ENTROPY DIFFERENCES FOR ALKYL-GROUPS IN ALKYLCYCLOHEXANES BY LOW-TEMPERATURE C-13 MAGNETIC-RESONANCE SPECTROSCOPY [J].
BOOTH, H ;
EVERETT, JR .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1980, (02) :255-259
[5]   APPLICATION OF CONFORMATIONAL-ANALYSIS TECHNIQUES TO PREDICTION OF HEATS OF FORMATION AND GAS-PHASE THERMODYNAMIC FUNCTIONS [J].
BOYD, RH ;
BREITLIN.SM ;
MANSFIEL.M .
AICHE JOURNAL, 1973, 19 (05) :1016-1024
[6]   MOLECULAR-STRUCTURE OF NORMAL-BUTANE - CALCULATION OF VIBRATIONAL SHRINKAGES AND AN ELECTRON-DIFFRACTION REINVESTIGATION [J].
BRADFORD, WF ;
FITZWATER, S ;
BARTELL, LS .
JOURNAL OF MOLECULAR STRUCTURE, 1977, 38 (MAY) :185-194
[7]  
BURKERT U, 1981, ACS MONOGRAPH, V177
[8]  
BUSHWELLER CH, 1972, TETRAHEDRON LETT, P1811
[9]   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
[10]   ULTRASONIC RELAXATION IN ROTATIONAL ISOMERS [J].
CHEN, JH ;
PETRAUSKAS, AA .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (01) :304-307