𝔖 Bobbio Scriptorium
✦   LIBER   ✦

CF 2 XCF 2 X and CF 2 XCF 2 • Radicals (X = Cl, Br, I): Ab Initio and DFT Studies and Comparison with Experiments

✍ Scribed by Ihee, Hyotcherl; Kua, Jeremy; Zewail, Ahmed H.


Book ID
119966893
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
121 KB
Volume
105
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Structure and properties of X2O and XYO
✍ Patrick Chaquin; Mohamed Bahou; André Schriver; Louise Schriver 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 431 KB

Equilibrium structures, energies and vibrational frequencies of C120, Br20 and CIOBr isomers have been calculated using five selected DFT techniques. Comparison with available experimental data shows that S-VWN (LSD Slater exchange and LSD Vosko, Wilk and Nusair's correlation functional) and, to a l