Sistemas supramoleculares, nanobiomimética y biofísica molecular
SupraNanoBioMol
ANTONIO
FERNANDEZ RAMOS
Catedrático de universidad
Publicaciones en las que colabora con ANTONIO FERNANDEZ RAMOS (20)
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
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
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
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
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Product energy distributions from ethylene photodissociation at 193 nm: A DFT direct classical trajectory study
Chemical Physics Letters, Vol. 369, Núm. 1-2, pp. 1-7
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Quasi-classical trajectory study of H2 elimination in the photodissociation of difluoroethylenes at 193 nm
Journal of Chemical Physics, Vol. 118, Núm. 15, pp. 6941-6945
2002
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Rate constrants and kinetic isotope effects for Cl + CH4 → ClH + CH3: A comparison between LSC-IVR and statistical theories
Chemical Physics Letters, Vol. 360, Núm. 1-2, pp. 59-64
2001
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Rate constants and isotope effects for the CH3+H2 → CH4+H reaction by an approximate semiclassical initial-value representation method
Chemical Physics Letters, Vol. 341, Núm. 3-4, pp. 351-357
1998
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Direct dynamic study of the dissociation and elimination channels in the thermal decomposition of methyl nitrite
Journal of the American Chemical Society, Vol. 120, Núm. 30, pp. 7594-7601