ABINITIO CALCULATIONS OF EQUILIBRIUM STRUCTURE OF CYCLOBUTANE

被引:92
作者
CREMER, D [1 ]
机构
[1] UNIV COLOGNE,LEHRSTUHL THEORET CHEM,D-5000 COLOGNE,FED REP GER
关键词
D O I
10.1021/ja00447a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1307 / 1309
页数:3
相关论文
共 28 条
[1]   PRELIMINARY RESULTS OF AN ELECTRON DIFFRACTION REINVESTIGATION OF CYCLOBUTANE AND CYCLOPENTANE [J].
ALMENNINGEN, A ;
SKANCKE, PPN ;
BASTIANSEN, O .
ACTA CHEMICA SCANDINAVICA, 1961, 15 (03) :711-&
[2]   EXTENDED BASIS SET STUDIES OF HYDROCARBON MOLECULAR-ORBITAL ENERGIES [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
CHEMICAL PHYSICS LETTERS, 1975, 36 (01) :1-5
[3]  
BORGERS TR, 1966, J CHEM PHYS, V45, P1947
[4]   CONFORMATIONS OF CYCLOBUTANE [J].
COTTON, FA ;
FRENZ, BA .
TETRAHEDRON, 1974, 30 (12) :1587-1594
[5]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[6]  
CREMER D, TO BE PUBLISHED
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[8]   DIHEDRAL ANGLE IN CYCLOBUTANE [J].
DOWS, DA ;
RICH, N .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (01) :333-&
[9]   THE MOLECULAR STRUCTURE OF CYCLOBUTANE [J].
DUNITZ, JD ;
SCHOMAKER, V .
JOURNAL OF CHEMICAL PHYSICS, 1952, 20 (11) :1703-1707
[10]   EFFECT OF D-FUNCTIONS ON MOLECULAR-ORBITAL ENERGIES FOR HYDROCARBONS [J].
HARIHARAN, PC ;
POPLE, JA .
CHEMICAL PHYSICS LETTERS, 1972, 16 (02) :217-+