𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Variational Transition-State Theory Rate Constant Calculations of the OH + CH 3 SH Reaction and Several Isotopic Variants

✍ Scribed by Masgrau, Laura; González-Lafont, Àngels; Lluch, José M.


Book ID
121212343
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
107 KB
Volume
107
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Variational transition-state theory stud
✍ Juan M. RamíRez-Anguita; àngels González-Lafont; José M. Lluch 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 375 KB 👁 1 views

## Abstract The chemical tropospheric dimethyl sulfide (DMS, CH~3~SCH~3~) degradation involves several steps highly dependent on the environmental conditions. So, intensive efforts have been devoted during the last years to enhance the understanding of the DMS oxidation mechanism under different co

Rate coefficients for the reaction of OH
✍ Mohamad Akbar Ali; B. Rajakumar 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 325 KB 👁 1 views

## Abstract Rate coefficients for the reaction of the hydroxyl radical with CF~3~CH~2~CH~3~ (HFC‐263fb) were computed using __ab initio__ methods, viz. MP2, G3MP2, and G3B3 theories between 200 and 400 K. Structures of the reactants in the ground state (GS) and transition state (TS) were optimized