𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of α-chlorotoluene

✍ Scribed by P.B. Nagabalasubramanian; S. Periandy; S. Mohan


Book ID
108261290
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
278 KB
Volume
77
Category
Article
ISSN
1386-1425

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Vibrational structure of free and hydrog
✍ Elif Akalin; Sevim Akyuz 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 306 KB

The combined experimental and theoretical study on molecular vibrations of isoniazid (INH) were reported by using density functional (DFT) method to determine the geometric and vibrational characteristics of INH with the B3LYP/6-31++G(d,p) basis set. Anharmonic corrections to the wavenumbers were do