✦ LIBER ✦

FT-IR and FT-Raman spectroscopies and DFT calculations of 2,2-dimethyl-5-(4H-1,2,4-triazol-4-ylaminomethylene)-1,3-dioxane-4,6-dione monohydrate

✍ Scribed by Sampaio, G.M.M.; Teixeira, A.M.R.; Coutinho, H.D.M.; de Sena Junior, D.M.; Freire, P.T.C.; Caselli, P.E.S.; Gusmão, G.O.M.; Bento, R.R.F.; Silva, L.E.

Book ID: 123007207
Publisher: Elsevier Science
Year: 2013
Tongue: English
Weight: 492 KB
Volume: 1038
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2012.12.058

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

2,2-Dimethyl-5-(4H-1,2,4-triazol-4-ylami

2,2-Dimethyl-5-(4H-1,2,4-triazol-4-ylaminomethylene)-1,3-dioxane-4,6-dione monohydrate

✍ Joussef, Antonio C. ;Silva, Luiz Everson da ;Bortoluzzi, Adailton J. ;Foro, Sabi 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 176 KB

In the title compound, C 9 H 10 N 4 O 4 ÁH 2 O, the triazole ring is nearly planar. The 1,3-dioxane-4,6-dione ring exhibits a halfchair conformation. Two intramolecular N-HÁ Á ÁÁO hydrogen bonds, with OÁ Á ÁH distances of 2.23 (2) and 1.99 (2) A ˚, and two intermolecular O-HÁ Á ÁÁN hydrogen bonds, w

FT-IR, FT-Raman and DFT calculations of

FT-IR, FT-Raman and DFT calculations of 3-{[(4-fluorophenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one

✍ C. Yohannan Panicker; K. R. Ambujakshan; Hema Tresa Varghese; Samuel Mathew; Sub 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 372 KB 👁 1 views

FT-IR, FT-Raman and computational study

FT-IR, FT-Raman and computational study of 1H-2,2-dimethyl-3H-phenothiazin-4[10H]-one

✍ R. Minitha; Y. Sheena Mary; Hema Tresa Varghese; C. Yohannan Panicker; Reena Rav 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 523 KB

Molecular geometry and vibrational studi

Molecular geometry and vibrational studies of 3,5-diamino-1,2,4-triazole using quantum chemical calculations and FT-IR and FT-Raman spectroscopies

✍ L. Guennoun; J. El jastimi; F. Guédira; K. Marakchi; O.K. Kabbaj; A. El Hajji; S 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 339 KB

FT-IR, FT-Raman, ab initio and DFT studi

FT-IR, FT-Raman, ab initio and DFT studies, HOMO–LUMO and NBO analysis of 3-amino-5-mercapto-1,2,4-triazole

✍ R. John Xavier; E. Gobinath 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 580 KB

FT-IR, FT-Raman spectra and ab initio HF

FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one

✍ Muthu, S.; Prasath, M.; Isac Paulraj, E.; Arun Balaji, R. 📂 Article 📅 2014 🏛 Elsevier Science 🌐 English ⚖ 681 KB