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Results: 1-15 |
Results: 15
Anharmonic quasiclassical barrier samplings in trajectory calculations andtheir influence on the computed product energy distributions
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, Anharmonic quasiclassical barrier samplings in trajectory calculations andtheir influence on the computed product energy distributions, J PHYS CH A, 105(20), 2001, pp. 4808-4813
Ab initio calculations on the vinyl fluoride fragmentation reactions
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, Ab initio calculations on the vinyl fluoride fragmentation reactions, STRUCT CHEM, 12(2), 2001, pp. 95-100
A direct dynamics study of the H-2 elimination from 2,5-dihydrofuran
Authors: Martinez-Nunez, E Marques, JMC Vazquez, SA
Citation: E. Martinez-nunez et al., A direct dynamics study of the H-2 elimination from 2,5-dihydrofuran, J CHEM PHYS, 115(17), 2001, pp. 7872-7880
The unimolecular dissociation of the propionyl radical: A classical dynamics study
Authors: Martinez-Nunez, E Pena-Gallego, A Vazquez, SA
Citation: E. Martinez-nunez et al., The unimolecular dissociation of the propionyl radical: A classical dynamics study, J CHEM PHYS, 114(8), 2001, pp. 3546-3553
Product energy distributions for the four-center HF elimination from 1,1-difluoroethylene. A direct dynamics study
Authors: Martinez-Nunez, E Estevez, CM Flores, JR Vazquez, SA
Citation: E. Martinez-nunez et al., Product energy distributions for the four-center HF elimination from 1,1-difluoroethylene. A direct dynamics study, CHEM P LETT, 348(1-2), 2001, pp. 81-88
Rate constants and isotope effects for the CH3+H-2 -> CH4+Hreaction by an approximate semiclassical initial-value representation method
Authors: Fernandez-Ramos, A Martinez-Nunez, E Smedarchina, Z Vazquez, SA
Citation: A. Fernandez-ramos et al., Rate constants and isotope effects for the CH3+H-2 -> CH4+Hreaction by an approximate semiclassical initial-value representation method, CHEM P LETT, 341(3-4), 2001, pp. 351-357
Dynamics of the cis-trans isomerization and Cl-O dissociation of chlorine nitrite. Classical trajectory and statistical calculations
Authors: Pena-Gallego, A Martinez-Nunez, E Vazquez, SA
Citation: A. Pena-gallego et al., Dynamics of the cis-trans isomerization and Cl-O dissociation of chlorine nitrite. Classical trajectory and statistical calculations, PHYS CHEM P, 2(23), 2000, pp. 5393-5399
Unimolecular decomposition of CH3SH+: an ab initio and RRKM study
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, Unimolecular decomposition of CH3SH+: an ab initio and RRKM study, J MOL ST-TH, 505, 2000, pp. 109-116
Three-center vs. four-center HF elimination from vinyl fluoride: a direct dynamics study
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, Three-center vs. four-center HF elimination from vinyl fluoride: a direct dynamics study, CHEM P LETT, 332(5-6), 2000, pp. 583-590
Direct dynamics simulation of the methanethiol cation decomposition
Authors: Martinez-Nunez, E Pena-Gallego, A Rodriguez-Fernandez, R Vazquez, SA
Citation: E. Martinez-nunez et al., Direct dynamics simulation of the methanethiol cation decomposition, CHEM P LETT, 324(1-3), 2000, pp. 88-94
Rotational effects in the unimolecular dissociation of the acetyl radical
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, Rotational effects in the unimolecular dissociation of the acetyl radical, CHEM P LETT, 316(5-6), 2000, pp. 471-476
Classical dynamics study of the unimolecular decomposition of CH3SH+
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, Classical dynamics study of the unimolecular decomposition of CH3SH+, J PHYS CH A, 103(48), 1999, pp. 9783-9793
Further dynamical studies of the dissociation and elimination reactions ofmethyl nitrite
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, Further dynamical studies of the dissociation and elimination reactions ofmethyl nitrite, J CHEM PHYS, 111(23), 1999, pp. 10501-10510
Nonstatistical effects in the unimolecular dissociation of the acetyl radical
Authors: Pena-Gallego, A Martinez-Nunez, E Vazquez, SA
Citation: A. Pena-gallego et al., Nonstatistical effects in the unimolecular dissociation of the acetyl radical, J CHEM PHYS, 110(23), 1999, pp. 11323-11334
A statistical study of the methyl nitrite isomerization reaction: inverse secondary isotope effects
Authors: Martinez-Nunez, E Vazquez, SA
Citation: E. Martinez-nunez et Sa. Vazquez, A statistical study of the methyl nitrite isomerization reaction: inverse secondary isotope effects, CHEM P LETT, 310(1-2), 1999, pp. 209-214
Risultati: 1-15 |