SAULO ANGEL
VAZQUEZ RODRIGUEZ
Catedrático de universidade
Publicacións nas que colabora con SAULO ANGEL VAZQUEZ RODRIGUEZ (27)
2018
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Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals
Journal of Physical Chemistry A, Vol. 122, Núm. 21, pp. 4790-4800
2017
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An automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis
Chemical Science, Vol. 8, Núm. 5, pp. 3843-3851
2015
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Molecular dynamics simulations for designing biomimetic pores based on internally functionalized self-assembling α,γ-peptide nanotubes
Physical Chemistry Chemical Physics, Vol. 17, Núm. 43, pp. 28586-28601
2014
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Unraveling the factors that control soft landing of small silyl ions on fluorinated self-assembled monolayers
Journal of Physical Chemistry C, Vol. 118, Núm. 19, pp. 10159-10169
2011
2010
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Back to the coordination modes of the thiosemicarbazonate chain: New insights from diorganolead(IV) and lead(II) derivatives of isatin-3- thiosemicarbazone
European Journal of Inorganic Chemistry, pp. 4992-5004
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Interaction and dimerization energies in methyl-blocked α,γ-Peptide nanotube segments
Journal of Physical Chemistry B, Vol. 114, Núm. 15, pp. 4973-4983
2007
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Direct-dynamics VTST study of the [1,7] hydrogen shift in 7-methylocta-1,3(Z),5(Z)-triene. A model system for the hydrogen transfer reaction in previtamin D3
Journal of Physical Chemistry A, Vol. 111, Núm. 4, pp. 719-725
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Hydrogen transfer vs proton transfer in 7-hydroxy-quinoline·(NH 3)3: A CASSCF/ CASPT2 study
Journal of Physical Chemistry A
2006
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Role of barium(II) in the determination of the absolute configuration of chiral amines by1H NMR spectroscopy
Journal of Organic Chemistry, Vol. 71, Núm. 3, pp. 1119-1130
2005
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Quasiclassical dynamics simulation of the collision-induced dissociation of Cr (CO)6
+ with Xe
Journal of Chemical Physics, Vol. 123, Núm. 15
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Quasiclassical trajectory study of the F + CH4 reaction dynamics on a dual-level interpolated potential energy surface
Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8459-8470
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Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: The importance of zero-point-energy effects
Journal of Physical Chemistry A, Vol. 109, Núm. 24, pp. 5415-5423
2003
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A Direct Classical Trajectory Study of HCl Elimination from the 193 nm Photodissociation of Vinyl Chloride
Journal of Physical Chemistry A, Vol. 107, Núm. 38, pp. 7611-7618
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A direct DFT dynamics study of the photodissociation of triplet acetaldehyde
Chemical Physics Letters, Vol. 375, Núm. 5-6, pp. 591-597
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A direct classical trajectory study of the acetone photodissociation on the triplet surface
Journal of Chemical Physics, Vol. 119, Núm. 20, pp. 10618-10625
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Direct dynamics study of the photodissociation of triplet propanal at threshold
Renewable and Sustainable Energy Reviews, Vol. 7, Núm. 6, pp. 37-44
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Dissociation of difluoroethylenes. I. Global potential energy surface, RRKM, and VTST calculations
Journal of Physical Chemistry A, Vol. 107, Núm. 9, pp. 1389-1397
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Dissociation of difluoroethylenes. II. Direct classical trajectory study of the HF elimination from 1,2-difluoroethylene
Journal of Physical Chemistry A, Vol. 107, Núm. 9, pp. 1398-1404
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Dynamics calculations for the Cl+C2H6 abstraction reaction: Thermal rate constants and kinetic isotope effects
Journal of Chemical Physics, Vol. 118, Núm. 14, pp. 6280-6288