MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .4. INTERNAL ROTATION IN HYDROCARBONS USING A MINIMAL SLATER-TYPE BASIS

被引:310
作者
RADOM, L
POPLE, JA
机构
关键词
D O I
10.1021/ja00719a005
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4786 / &
相关论文
共 100 条
[1]   Energy component analysis of rotational barriers [J].
Allen, L. C. .
CHEMICAL PHYSICS LETTERS, 1968, 2 (08) :597-601
[2]   AN ELECTRON DIFFRACTION REINVESTIGATION OF THE MOLECULAR STRUCTURE OF 1,3-BUTADIENE [J].
ALMENNINGEN, A ;
BASTIANSEN, O ;
TRAETTEBERG, M .
ACTA CHEMICA SCANDINAVICA, 1958, 12 (06) :1221-1225
[3]   Barrier to internal rotation in allene [J].
Andre, Jean-Marie ;
Andre, Marie-Claude ;
Leroy, Georges .
CHEMICAL PHYSICS LETTERS, 1969, 3 (09) :695-698
[4]   THE VIBRATIONAL FREQUENCIES OF ETHYLENE [J].
ARNETT, RL ;
CRAWFORD, BL .
JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (01) :118-126
[5]   THERMODYNAMIC PROPERTIES OF GASEOUS 1,3-BUTADIENE AND THE NORMAL BUTENES ABOVE 25-DEGREES C - EQUILIBRIA IN THE SYSTEM 1,3-BUTADIENE, N-BUTENES, AND N-BUTANE [J].
ASTON, JG ;
SZASZ, G ;
WOOLLEY, HW ;
BRICKWEDDE, FG .
JOURNAL OF CHEMICAL PHYSICS, 1946, 14 (02) :67-79
[6]   The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of isobutane [J].
Aston, JG ;
Kennedy, RM ;
Schumann, SC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1940, 62 :2059-2063
[7]   STABLE CONFORMATION OF 1,1,4,4-TETRAFLUOROBUTADIENE [J].
BEAUDET, RA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (06) :1390-&
[8]   MICROWAVE SPECTRUM ISOMERIC FORM AND DIPOLE MOMENT OF 1,1-DIFLUOROBUTADIENE [J].
BEAUDET, RA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (11) :3758-&
[9]   MICROWAVE SPECTRA OF ROTATIONAL ISOMERS OF ACRYLIC ACID [J].
BOLTON, K ;
OWEN, NL ;
SHERIDAN, J .
NATURE, 1968, 218 (5138) :266-&
[10]   PROTON MAGNETIC RESONANCE SPECTRA OF OLEFINS .2. INTERNAL ROTATION IN ALKYLETHYLENES [J].
BOTHNERBY, AA ;
NAARCOLIN, C ;
GUNTHER, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (14) :2748-&