𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Tail effect on trihydroxysilanes dimerization: A dispersion-corrected density functional theory study

✍ Scribed by J.-M. Ducéré; A. Estève; G. Landa; M. Djafari Rouhani; D. Estève


Book ID
116896821
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
551 KB
Volume
606
Category
Article
ISSN
0039-6028

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Effect of fluorine substitution on the p
✍ Fabio Pichierri 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 264 KB

The effect of fluorine substitution on the proton transfer barrier (DE PT ) of malonaldehyde (1) has been investigated with the aid of density functional theory (DFT) calculations carried out at the B3LYP/cc-pVTZ level of theory. The results indicate that fluorine substitution in 1 increases the ene