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Experimental and ab initio computational studies on 5-(4-aminophenyl)-4-(3-methyl-3-phenylcyclobutyl)thiazol-2-amine

✍ Scribed by Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Büyükgüngör, Orhan


Book ID
120779452
Publisher
Springer
Year
2008
Tongue
English
Weight
108 KB
Category
Article
ISSN
1040-0400

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DFT computational modeling studies on 4-
✍ Hasan Tanak 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 552 KB

Density functional calculations of the structure, atomic charges, molecular electrostatic potential and thermodynamic functions have been performed at B3LYP/6-31G(d) level of theory for the title compound 4-(2,3-Dihydroxybenzylideneamino)-3-methyl-1H-1,2,4-triazol-5(4H)-one. The calculated results s