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Unimolecular decomposition of CH3SH+: an ab initio and RRKM study

✍ Scribed by E Martı́nez-Núñez; S.A Vázquez


Book ID
114143885
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
126 KB
Volume
505
Category
Article
ISSN
0166-1280

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Kinetic study for the unimolecular disso
✍ Dong Nam Shin; Yong Sim Yoo; Chul Woong Park; Jae Won Hahn; Kihyung Song 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 490 KB

Unimolecular dissociations of CFaH into (1) CF2(1AI ) + HF, (2) CF 3 + H and (3) CF2H + F were studied by means of RRKM and PST calculations on an ab initio potential energy surface. Activation energies for the three channels (1), ( 2) and (3) are 73.95, 108.20 and 130.02 kcal/mol at G2 level, respe