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Sheela, N.R., Muthu, S., Sampathkrishnan, S. (2014) Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4′-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 120. 237-251 doi:10.1016/j.saa.2013.10.007

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Reference TypeJournal (article/letter/editorial)
TitleMolecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4′-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsSheela, N.R.Author
Muthu, S.Author
Sampathkrishnan, S.Author
Year2014 (February)Volume120
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2013.10.007Search in ResearchGate
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Mindat Ref. ID16394739Long-form Identifiermindat:1:5:16394739:0
GUID0
Full ReferenceSheela, N.R., Muthu, S., Sampathkrishnan, S. (2014) Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4′-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 120. 237-251 doi:10.1016/j.saa.2013.10.007
Plain TextSheela, N.R., Muthu, S., Sampathkrishnan, S. (2014) Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4′-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 120. 237-251 doi:10.1016/j.saa.2013.10.007
In(2014) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 120. Elsevier BV

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