Facultade de Química
Centro
![Foto de Emilio](/img/nophoto.png)
Emilio
Martinez Nuñez
Publicacións nas que colabora con Emilio Martinez Nuñez (16)
2003
-
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
2002
-
A theoretical study of the dynamics of the S + c-C3H reaction
Journal of Physical Chemistry A, Vol. 106, Núm. 37, pp. 8811-8819
-
Dissociation of ethylene and several deuterated derivatives at 193 and 157 nm by direct classical trajectories
Chemical Physics Letters, Vol. 353, Núm. 5-6, pp. 418-425
-
The role of aromaticity in the planarity of lumiflavin
Journal of Organic Chemistry, Vol. 67, Núm. 18, pp. 6347-6352
2001
-
Product energy distributions for the four-center HF elimination from 1,1-difluoroethylene. a direct dynamics study
Chemical Physics Letters, Vol. 348, Núm. 1-2, pp. 81-88
-
Unimolecular dissociation of the propionyl radical: a classical dynamics study
Journal of Chemical Physics, Vol. 114, Núm. 8, pp. 3546-3553
2000
-
A quantum chemical study of aniline/ammonia clusters. Thermodynamic properties and frequency analysis
Journal of Molecular Structure: THEOCHEM, Vol. 497, Núm. 1-3, pp. 105-113
-
DFT conformational study of cysteine in gas phase and aqueous solution
Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 191-200
-
Direct dynamics simulation of the methanethiol cation decomposition
Chemical Physics Letters, Vol. 324, Núm. 1-3, pp. 88-94
-
Dynamics of the cis-trans isomerization and Cl-O dissociation of chlorine nitrite. Classical trajectory and statistical calculations
Physical Chemistry Chemical Physics, Vol. 2, Núm. 23, pp. 5393-5399
-
Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study
Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 21-28
1999
-
A DFT study of a model compound of vitamin D
Journal of Molecular Structure: THEOCHEM, Vol. 492, Núm. 1-3, pp. 143-150
-
An ab initio study of a model compound of penicillins
Journal of Molecular Structure: THEOCHEM, Vol. 491, Núm. 1-3, pp. 177-185
-
Nonstatistical effects in the unimolecular dissociation of the acetyl radical
Journal of Chemical Physics, Vol. 110, Núm. 23, pp. 11323-11334
1998
-
Classical trajectory study of the Cis-trans isomerization and F-O dissociation of FONO
Journal of Physical Chemistry A, Vol. 102, Núm. 45, pp. 8708-8715
1997
-
Conformational analysis of model compounds of vitamin D by theoretical calculations
Journal of Computational Chemistry, Vol. 18, Núm. 13, pp. 1647-1655