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Mechanism of the gas-phase decomposition of trifluoro-, trichloro-, and tribromomethanols in the presence of hydrogen halides

✍ Scribed by Katarzyna Brudnik; Jerzy T. Jodkowski; Dariusz Sarzyński; Andrzej Nowek


Book ID
106240518
Publisher
Springer-Verlag
Year
2011
Tongue
English
Weight
323 KB
Volume
17
Category
Article
ISSN
1610-2940

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The reaction mechanism of the gas-phase
✍ José R. Mora; Edgar Márquez; Jesus Lezama; Tania Córdova; Gabriel Chuchani 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 240 KB

## Abstract The kinetics and mechanisms of the gas‐phase elimination reactions of neopentyl chloride and neopentyl bromide have been studied by means of electronic structure calculations using density functional methods: B3LYP/6‐31G(d,p), B3LYP/ 6‐31++G(d,p), MPW1PW91/6‐31G(d,p), MPW1PW91/6‐31++G(d