M. E. Ruiz-Santoyo

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́ 1 1 ISIDORO GARCIA]CRUZ, M. E. RUIZ]SANTOYO ́ 2 3 J. RAUL ALVAREZ]IDABOY, ANNIK VIVIER]BUNGE 1 Gerencia de Ciencias del Ambiente, Instituto Mexicano del Petroleo, 07730 Mexico, D.F., Mexico ́ ́ ́ 2 Laboratorio de Quımica Computacional y Teorica, Facultad de Quımica, Universidad de La Habana, ́ ́ ́ Habana 10400, Cuba 3 Departamento de Quımica, Universidad(More)
We present a theoretical study of the mechanism and kinetics of the OH hydrogen abstraction from glycolaldehyde. Optimum geometries, frequencies, and gradients have been computed at the BHandHLYP/6-311++G(d,p) level of theory for all stationary points, as well as for additional points along the minimum energy path (MEP). Energies are obtained by(More)
A theoretical study of the mechanism and kinetics of the OH hydrogen abstraction from glyoxal and methylglyoxal is presented. Optimum geometries, frequencies, and gradients have been computed at the BHandHLYP/6-311++G(d,p) level of theory for all the stationary points, as well as for 12 additional points along the minimum energy path (MEP). Energies were(More)
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