Sistemas supramoleculares, nanobiomimética y biofísica molecular
SupraNanoBioMol
Miguel Ángel
Ríos Fernández
Publicaciones en las que colabora con Miguel Ángel Ríos Fernández (16)
2011
2007
-
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
-
Hydrogen transfer vs proton transfer in 7-hydroxy-quinoline·(NH 3)3: A CASSCF/ CASPT2 study
Journal of Physical Chemistry A
2002
-
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
1998
-
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
1992
-
A theoretical study of 1-amino-3-butene and 3-butene-1-thiol
Structural Chemistry, Vol. 3, Núm. 4, pp. 225-229
-
Molecular mechanics study of conformational trends in simple alcohols and ethers. II. Intramolecular hydrogen bonding
Journal of Computational Chemistry, Vol. 13, Núm. 7, pp. 851-859
-
Theoretical study of some nitriles: Intramolecular hydrogen bonds and anomeric effect
Journal of Computational Chemistry, Vol. 13, Núm. 6, pp. 722-729
1991
-
A molecular mechanics study of conformational trends in simple alcohols and ethers. Part I: Geometric trends
Journal of Computational Chemistry, Vol. 12, Núm. 7, pp. 872-879
1990
-
Ab initio gradient conformational analysis of polyazocyclohexanes:1,4-diazocyclohexane, 1,3-diazocyclohexane and 1,3,5-triazocyclohexane
Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 223-234
-
An ab initio gradient study of ethylhydrazine
Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 49-66
1989
-
AB initio gradient optimized molecular geometry and conformational analysis of 1,2-propanediol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 323-342
-
Ab initio-gradient optimized molecular geometry and conformational analysis of 2-methoxyethanol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 188, Núm. 1-2, pp. 95-104
-
An ab initio gradient study of trimethylhydrazine
Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 311-322
-
Study of the geometric trends and rotational constants of 1-fluoro-2-propanol and 2-fluoropropanol by Ab Initio calculations
Tetrahedron Computer Methodology, Vol. 2, Núm. 2, pp. 85-92
1988
-
Ab initio-gradient optimized molecular geometry and conformational analysis of 1,3-propanediol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 181, Núm. 1-2, pp. 149-167