AM1 CALCULATIONS OF ROTATION AROUND ESSENTIAL SINGLE BONDS AND PREFERRED CONFORMATIONS IN CONJUGATED MOLECULES

被引:140
作者
FABIAN, WMF
机构
关键词
D O I
10.1002/jcc.540090412
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:369 / 377
页数:9
相关论文
共 109 条
[1]   ROTATIONAL-ISOMERISM .13. ROTATIONAL-ISOMERISM IN FURFURALDEHYDE [J].
ABRAHAM, RJ ;
SIVERNS, TM .
TETRAHEDRON, 1972, 28 (11) :3015-&
[2]   MOLECULAR-ORBITAL TREATMENT OF PHENYLFURANS AND BIFURANS [J].
ABUEITTAH, R ;
HILAL, R ;
HAMED, MM .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (03) :383-399
[3]   ISATOGENS - CRYSTAL-STRUCTURE, ELECTRON-DENSITY CALCULATIONS, AND C-13 NUCLEAR-MAGNETIC-RESONANCE SPECTRA [J].
ADAMS, DB ;
HOOPER, M ;
SWAIN, CJ ;
RAPER, ES ;
STODDART, B .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1, 1986, (06) :1005-1010
[4]   INTERNAL-ROTATION OF BIPHENYL IN SOLUTION STUDIED BY IR AND NMR-SPECTRA [J].
AKIYAMA, M ;
WATANABE, T ;
KAKIHANA, M .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (09) :1752-1755
[5]   STRUCTURE AND BARRIER OF INTERNAL-ROTATION OF BIPHENYL DERIVATIVES IN THE GASEOUS STATE .1. THE MOLECULAR-STRUCTURE AND NORMAL COORDINATE ANALYSIS OF NORMAL BIPHENYL AND PERDEUTERATED BIPHENYL [J].
ALMENNINGEN, A ;
BASTIANSEN, O ;
FERNHOLT, L ;
CYVIN, BN ;
CYVIN, SJ ;
SAMDAL, S .
JOURNAL OF MOLECULAR STRUCTURE, 1985, 128 (1-3) :59-76
[6]   ELECTRONIC-PROPERTIES OF POLYPYRROLE - AN ABINITIO HARTREE-FOCK STUDY [J].
ANDRE, JM ;
VERCAUTEREN, DP ;
STREET, GB ;
BREDAS, JL .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) :5643-5648
[7]   CONFORMATIONAL-ANALYSIS OF FURAN AND THIOPHENE CARBONYL DERIVATIVES [J].
ANDRIEU, CG ;
CHATAINC.C ;
FOURNIEZ.MC .
JOURNAL OF MOLECULAR STRUCTURE, 1974, 22 (03) :433-444
[8]   GENERALIZED RULE OF ALDER - PRIVILEGED ROLE OF ELECTRON-DONOR SUBSTITUENT [J].
ANH, NT ;
CANADELL, E ;
EISENSTEIN, O .
TETRAHEDRON, 1978, 34 (15) :2283-2288
[9]  
Arbuzov B.A., 1979, IAN SSSR KH, P1020
[10]   CONFORMATIONAL STUDY OF N-ARYL AZOLES USING EXTENDED HUCKEL THEORY [J].
AVIGNON, T ;
BOUSCASSE, L ;
ELGUERO, J .
TETRAHEDRON, 1978, 34 (08) :1139-1145