Departamento de Química Física
Departamento
![Foto de Miguel Ángel](/img/nophoto.png)
Miguel Ángel
Ríos Fernández
Publicaciones en las que colabora con Miguel Ángel Ríos Fernández (56)
2011
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Erratum: 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 (2007) 111 (719-725) DOI: 10.1021/jp0665269)
Journal of Physical Chemistry A
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Nitrosation of dialkylhydroxylamines, and computational and NMR investigations of the interconversion of conformational isomers of N-nitroso-dimethylhydroxylamine
Journal of Physical Organic Chemistry, Vol. 24, Núm. 2, pp. 162-171
2009
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Solvent-modulated ground-state rotamerism and tautomerism and excited-state proton-transfer processes in o-Hydrpxynaphthylbenzimidazoles
Journal of Physical Chemistry A, Vol. 113, Núm. 1, pp. 56-67
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
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Nucleophilic substitution reactions of N-chloramines: Evidence for a change in mechanism with increasing nucleophile reactivity
Journal of Organic Chemistry, Vol. 72, Núm. 9, pp. 3171-3178
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
2000
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Ab initio study of M(CH3CN)(n) clusters (M = Li+, Na+, Mg2+) in the gas phase
Chemical Physics, Vol. 254, Núm. 1, pp. 11-23
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Ab initio study of interactions in methylamine clusters. the significance of cooperative effects
Journal of Chemical Physics, Vol. 112, Núm. 5, pp. 2155-2163
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An ab initio study of the interaction in dimethylamine dimer and trimer
Journal of Chemical Physics, Vol. 113, Núm. 21, pp. 9523-9531
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The study of A(CH3OH)1-6 (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process
Chemical Physics, Vol. 254, Núm. 2-3, pp. 109-123
1999
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Ab Initio Study of Interactions in Hydrazine Clusters of One to Four Molecules: Cooperativity in the Interaction
Journal of Physical Chemistry A, Vol. 103, Núm. 32, pp. 6468-6474
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Development of an intermolecular potential function for interactions in formamide clusters based on ab initio calculations
Journal of Chemical Physics, Vol. 110, Núm. 14, pp. 6782-6791
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Direct-dynamics approaches to proton tunneling rate constants. A comparative test for molecular inversions and an application to 7-azaindole tautomerization
Journal of the American Chemical Society, Vol. 121, Núm. 26, pp. 6280-6289
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Intermolecular potential for acetonitrile based on ab initio calculations
Molecular Physics, Vol. 96, Núm. 3, pp. 309-321
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Intramolecular proton transfer in 2-(2'-hydroxyphenyl)benzoxazole: The reliability of ab initio calculations on simplified structures
Journal of Molecular Structure: THEOCHEM, Vol. 489, Núm. 2-3, pp. 255-262
1998
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A cooperative mechanism as the main source of the marked structural differences between solid and gaseous HCNBF3
Chemical Physics Letters, Vol. 294, Núm. 4-5, pp. 272-276
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A potential function for describing inter molecular interactions in the hydroxylamine dimer
Journal of Physical Chemistry A, Vol. 102, Núm. 50, pp. 10358-10365
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Ab initio study of the hydrogen bond and proton transfer in 2-(2′-hydroxyphenyl)benzothiazole and 2-(2′-Hydroxyphenyl)bezimidazole
Journal of Physical Chemistry A, Vol. 102, Núm. 9, pp. 1560-1567
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An intermolecular potential function for Na+-acetonitrile obtained from ab initio calculations.: Application to liquid simulations
Chemical Physics, Vol. 236, Núm. 1-3, pp. 235-242