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J-GLOBAL ID：202302267992119413   Reference number：23A2176077

Spectroscopic studies and quantum chemical investigations of (3,4-dimethoxybenzylidene) propanedinitrile

(3,4-ジメトキシベンジリデン)プロパンジニトリルの分光学的研究と量子化学研究【JST・京大機械翻訳】

Author (5)： Gupta Ujval (School of Physics, Shri Mata Vaishno Devi University, Kakryal, Katra 182320, Jammu & Kashmir, India) ,  Kumar Vinay (School of Physics, Shri Mata Vaishno Devi University, Kakryal, Katra 182320, Jammu & Kashmir, India) ,  Singh Vivek K. (School of Physics, Shri Mata Vaishno Devi University, Kakryal, Katra 182320, Jammu & Kashmir, India) ,  Kant Rajni (X-ray Crystallography Laboratory, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi 180 006, India) ,  Khajuria Yugal (School of Physics, Shri Mata Vaishno Devi University, Kakryal, Katra 182320, Jammu & Kashmir, India)
Material： Spectrochimica Acta. Part A. Molecular and Biomolecular Spectroscopy  (Spectrochimica Acta. Part A. Molecular Spectroscopy)
Volume： 140  Page： 65-73  Publication year： 2015 
JST Material Number： E0128B  ISSN： 1386-1425  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： The Fourier Transform Infrared...

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Thesaurus term： ionization potential ,  visible spectrum ,  infrared radiation ,  interaction ,  electric charge ,  hyperconjugation ,  functional ,  oscillation mode ,  harmonic vibration ,  LUMO ,  density functional method ,  *quantum chemistry ,  FTIR spectroscopy
Semi thesaurus term： 求電子性 ,  TDDFT , 【Automatic Indexing@JST】

Author keywords (6)： FTIR ,  UV-Vis ,  TGA ,  Density Functional Theory (DFT) ,  VEDA ,  NBO

JST classification (1)： Infrared and Raman spectra of organic molecules  (BH06033S)

Terms in the title (4)： プロパンジニトリル ,  分光学的研究 ,  量子化学 ,  研究