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Mary, Y. Shyma, El-Brollosy, Nasser R., El-Emam, Ali A., Al-Deeb, Omar A., Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian (2014) Vibrational spectra, NBO analysis, HOMO–LUMO and first hyperpolarizability of 2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 449-456 doi:10.1016/j.saa.2014.06.036

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Reference TypeJournal (article/letter/editorial)
TitleVibrational spectra, NBO analysis, HOMO–LUMO and first hyperpolarizability of 2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent based on density functional theory calculations
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsMary, Y. ShymaAuthor
El-Brollosy, Nasser R.Author
El-Emam, Ali A.Author
Al-Deeb, Omar A.Author
Jojo, P.J.Author
Panicker, C. YohannanAuthor
Van Alsenoy, ChristianAuthor
Year2014 (December)Volume133
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2014.06.036Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16395825Long-form Identifiermindat:1:5:16395825:9
GUID0
Full ReferenceMary, Y. Shyma, El-Brollosy, Nasser R., El-Emam, Ali A., Al-Deeb, Omar A., Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian (2014) Vibrational spectra, NBO analysis, HOMO–LUMO and first hyperpolarizability of 2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 449-456 doi:10.1016/j.saa.2014.06.036
Plain TextMary, Y. Shyma, El-Brollosy, Nasser R., El-Emam, Ali A., Al-Deeb, Omar A., Jojo, P.J., Panicker, C. Yohannan, Van Alsenoy, Christian (2014) Vibrational spectra, NBO analysis, HOMO–LUMO and first hyperpolarizability of 2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent based on density functional theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133. 449-456 doi:10.1016/j.saa.2014.06.036
In(2014) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 133. Elsevier BV

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