Ab initio Mo and X-ray studies of excited states in molecular crystals of 4-(β,β-dicyanovinyl)-3-methyl-N-methyl-N-benzylaniline

被引:0
|
作者
Abe, J.
Shirai, Y.
Sakai, K.
Tsubomura, T.
机构
来源
Journal of Physical Chemistry | 1995年 / 99卷 / 20期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [31] Molecular structure of 2-methylamino-5-[(5-methyl-2-benzoxazolinone-3-yl)methyl]-1,3,4-thiadiazole dihydrophosphate: a combined X-ray crystallographic and ab initio study
    Kaynak, Filiz Betuel
    Eriksson, Lars
    Salgin-Goksen, Umut
    Gokhan-Kelekci, Nesrin
    STRUCTURAL CHEMISTRY, 2008, 19 (05) : 757 - 764
  • [32] X-ray and Molecular Modelling Studies on 4-[N-Alkylamino]azobenzene Dyes (vol 82, pg 299, 2009)
    He, Liang
    El-Shafei, Ahmed
    Freeman, Harold S.
    Boyle, Paul
    DYES AND PIGMENTS, 2009, 83 (02) : 267 - 267
  • [33] Conformational and isomerizational studies of 3-N,N-dimethylhydrazino-2-methylsulfonyl propenenitrile using NMR and vibrational spectra, X-ray analysis and ab initio calculations
    Grof, M.
    Gatial, A.
    Milata, V.
    Pronayova, N.
    Kozisek, J.
    Breza, M.
    Matejka, P.
    JOURNAL OF MOLECULAR STRUCTURE, 2008, 891 (1-3) : 192 - 204
  • [34] Conformational and isomerizational studies of 3-N,N-dimethylhydrazino-2-acetyl propenenitrile using X-ray analysis, NMR and vibrational spectra, and ab initio calculations
    Grof, M.
    Gatial, A.
    Milata, V.
    Pronayova, N.
    Kozisek, J.
    Breza, M.
    Matejka, P.
    JOURNAL OF MOLECULAR STRUCTURE, 2009, 938 (1-3) : 97 - 110
  • [35] Experimental and ab initio Computational Studies on Dimethyl-(4-{4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenyl)-amine
    Yuksektepe, Cigdem
    Saracoglu, Hanife
    Caliskan, Nezihe
    Yilmaz, Ibrahim
    Cukurovali, Alaaddin
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2010, 31 (12) : 3553 - 3560
  • [36] The molecular linear polarizability from X-ray diffraction study. The case of 3-methyl 4-nitropyridine N-oxide (POM)
    Hamzaoui, F
    Zanoun, A
    Vergoten, G
    JOURNAL OF MOLECULAR STRUCTURE, 2004, 697 (1-3) : 17 - 22
  • [37] X-ray structures of iron(III) and cobalt(III) complexes containing 2-S-methyl-6-methyl-4-formylpyrimidine-N(4)-ethylthiosemicarbazone
    Pal, Sachindranath
    Barik, Anil Kumar
    Aich, Prahlad
    Peng, Shie-Ming
    Lee, Gene-Hsiang
    Kar, Susanta Kumar
    STRUCTURAL CHEMISTRY, 2007, 18 (02) : 149 - 155
  • [38] X-ray structures of iron(III) and cobalt(III) complexes containing 2-S-methyl-6-methyl-4-formylpyrimidine-N(4)-ethylthiosemicarbazone
    Sachindranath Pal
    Anil Kumar Barik
    Prahlad Aich
    Shie-Ming Peng
    Gene-Hsiang Lee
    Susanta Kumar Kar
    Structural Chemistry, 2007, 18 : 149 - 155
  • [39] Carbon-silicon hyperconjugation X-ray structural study of N-methyl-4-trimethylsilylmethylpyridinium triflate
    Happer, A
    Janice, NG
    Pool, B
    White, J
    JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2002, 659 (1-2) : 10 - 14
  • [40] N-[4-(3-methyl-3-mesityl-cyclobuty1)-thiazol-2-y1]-succinamic acid: X-ray structure, spectroscopic characterization and quantum chemical computational studies
    Sen, Fatih
    Dincer, Muharrem
    Cukurovali, Alaaddin
    Yilmaz, Ibrahim
    JOURNAL OF MOLECULAR STRUCTURE, 2013, 1046 : 1 - 8