AM1 treatment of silacyclacenes

被引：33
|
作者：
Türker, L [1 ]
机构：
[1] Middle E Tech Univ, Dept Chem, TR-06531 Ankara, Turkey
来源：
POLYCYCLIC AROMATIC COMPOUNDS | 1997年 / 12卷 / 03期
关键词：
cyclacenes; silacyclacenes; AM1; treatment; frontier molecular orbital energies; cryptoannulenic effect;
D O I：
10.1080/10406639708233837
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on Huckel type silacyclacenes having arenoid rings (R) of 2-9. The first and second type cryptoannulenic effects are defined.
引用
收藏
页码：213 / 219
页数：7
相关论文
共 50 条
  • [31] 斐讯AM1
    Yvette
    CGD
    设计, 2018, (04) : 29 - 29
  • [32] Quantum chemical studies on certain mitomycins -: AM1 treatment
    Türker, L
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 542 : 247 - 253
  • [33] AM1 PARAMETERS FOR TIN
    DEWAR, MJS
    HEALY, EF
    KUHN, DR
    HOLDER, AJ
    ORGANOMETALLICS, 1991, 10 (02) : 431 - 435
  • [34] AN AM1 STUDY OF ALLANTOIN
    SHUKLA, MK
    MISHRA, PC
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1993, 104 (01): : 143 - 146
  • [35] AM1 treatment of certain cyclophane-fused tetraazaporphyrins
    Türker, L
    JOURNAL OF PORPHYRINS AND PHTHALOCYANINES, 1999, 3 (04) : 259 - 264
  • [36] AM1 PARAMETERS FOR ALUMINUM
    DEWAR, MJS
    HOLDER, AJ
    ORGANOMETALLICS, 1990, 9 (02) : 508 - 511
  • [37] AM1 PARAMETERS FOR ZINC
    DEWAR, MJS
    MERZ, KM
    ORGANOMETALLICS, 1988, 7 (02) : 522 - 524
  • [38] Endohedral zinc doped Si60 -: AM1 treatment
    Türker, L
    ACH-MODELS IN CHEMISTRY, 2000, 137 (04): : 511 - 517
  • [39] AM1 and PM3 treatment of Huckel type cyclacenes
    Türker, L
    Celebi, N
    INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, 2000, 39 (06): : 410 - 413
  • [40] AM1* parameters for manganese and iron
    Hakan Kayi
    Timothy Clark
    Journal of Molecular Modeling, 2010, 16 : 1109 - 1126
12345