The reaction mechanism of the gas-phase
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Josรฉ R. Mora; Edgar Mรกrquez; Jesus Lezama; Tania Cรณrdova; Gabriel Chuchani
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Article
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2011
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John Wiley and Sons
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English
โ 240 KB
## Abstract The kinetics and mechanisms of the gasโphase elimination reactions of neopentyl chloride and neopentyl bromide have been studied by means of electronic structure calculations using density functional methods: B3LYP/6โ31G(d,p), B3LYP/ 6โ31++G(d,p), MPW1PW91/6โ31G(d,p), MPW1PW91/6โ31++G(d