𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Glycine amide hydrolysis with water and OH radical: a comparative DFT study

✍ Scribed by Vladimir A. Basiuk; Héctor M. Montiel


Book ID
108065534
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
388 KB
Volume
36
Category
Article
ISSN
0273-1177

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Kinetics and thermochemistry of the gas-
✍ Kh. Jogeshwari Devi; Asit K. Chandra 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 460 KB

The gas-phase reaction between 4-ethylpyridine and OH radical are studied using the hybrid density functional model MPWB1K and BB1K methods. Thermochemistry and kinetic parameters for both addition and hydrogen abstraction reaction from all the potential sites are considered. Barrier heights for all

CH bond dissociation enthalpies of fluor
✍ Shingo Urata; Tadafumi Uchimaru; Asit K. Chandra; Akira Takada; Akira Sekiya 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 139 KB 👁 1 views

## Abstract Density functional theory was used to estimate the lifetime of fluorinated formates, which are primary products from the oxidation of hydrofluoroethers. First, the CH bond dissociation enthalpies (BDEs) of 10 fluorinated formates, C~__n__~F~2__n__ + 1~OC(O)H (__n__ = 1–4) and C~__n__~H