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

✍ Scribed by Mary, Y. Shyma; El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Jojo, P.J.; Panicker, C. Yohannan; Van Alsenoy, Christian

• Book ID: 125801410
• Publisher: Elsevier Science
• Year: 2014
• Tongue: English
• Weight: 478 KB
• Volume: 133
• Category: Article
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2014.06.036