Theoretical Study of the Interaction between Methyl Fluoride, Methyl Chloride, and Methyl Bromide with Hydrogen Peroxide

MP2/6-31+G(d,p) calculations are used to analyze the interaction between CH3X (X = F, Cl, or Br) and hydrogen peroxide (HP). Two stable structures, A and B, are found on each potential energy surface. The A complexes are characterized by a six-membered structure and the B complexes, having a lower s...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2004-12, Vol.108 (50), p.11101-11108
Hauptverfasser:	Nguyen, Hue Minh Thi, Nguyen, Minh Tho, Peeters, Jozef, Zeegers-Huyskens, Thérèse
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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