Departamento
QUÍMICA FÍSICA
Publicaciones (28) Publicaciones en las que ha participado algún/a investigador/a
2012
-
A state-to-state dynamical study of the Br + H
2
reaction: Comparison of quantum and classical trajectory results
Physical Chemistry Chemical Physics, Vol. 14, Núm. 37, pp. 13067-13075
-
3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2, 4-triazole-5(4H)-thione
Acta Crystallographica Section E: Structure Reports Online, Vol. 68, Núm. 8
-
5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3, 4-oxadiazole-2(3H)-thione
Acta Crystallographica Section E: Structure Reports Online, Vol. 68, Núm. 7
-
Communication: Rate coefficients from quasiclassical trajectory calculations from the reverse reaction: The Mu + H 2 reaction re-visited
Journal of Chemical Physics, Vol. 137, Núm. 2
-
Connecting the chemical and biological reactivity of epoxides
Chemical Research in Toxicology, Vol. 25, Núm. 12, pp. 2755-2762
-
DNA damage by genotoxic hydroxyhalofuranones: An in silico approach to MX
Environmental Science and Technology, Vol. 46, Núm. 24, pp. 13463-13470
-
Dynamically biased statistical model for the ortho/para conversion in the H 2+H 3 + → H 3 + + H 2 reaction
Journal of Chemical Physics, Vol. 137, Núm. 9
-
Dynamics of the D + + H 2 and H + + D 2 reactions: A detailed comparison between theory and experiment
Physical Chemistry Chemical Physics, Vol. 14, Núm. 10, pp. 3346-3359
-
Dynamics of the reactions of muonium and deuterium atoms with vibrationally excited hydrogen molecules: Tunneling and vibrational adiabaticity
Physical Chemistry Chemical Physics, Vol. 14, Núm. 42, pp. 14596-14604
-
Elucidation of the O( 1D) + HF → F + OH mechanism by means of quasiclassical trajectories
Physical Chemistry Chemical Physics, Vol. 14, Núm. 47, pp. 16338-16348
-
Erratum: Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model (Chemical Research in Toxicology (2012) 25:6 (1176-1191) DOI: 10.1021/tx300065v)
Chemical Research in Toxicology
-
Fluorescent receptor for dicarboxylates based on pyrrolecarboxamides
Supramolecular Chemistry, Vol. 24, Núm. 5, pp. 361-368
-
Functionalization of reduced graphite oxide sheets with a zwitterionic surfactant
ChemPhysChem, Vol. 13, Núm. 16, pp. 3682-3690
-
Genotoxic halofuranones in water: Isomerization and acidity of mucohalic acids
Journal of Physical Organic Chemistry, Vol. 25, Núm. 1, pp. 14-20
-
H + D 2 reaction dynamics in the limit of low product recoil energy
Journal of Physical Chemistry Letters, Vol. 3, Núm. 20, pp. 2959-2963
-
New findings regarding the NO angular momentum orientation in Ar-NO( 2Π 1/2) collisions
Physical Chemistry Chemical Physics, Vol. 14, Núm. 28, pp. 9826-9837
-
N′-(Adamantan-2-ylidene)benzohydrazide
Acta Crystallographica Section E: Structure Reports Online, Vol. 68, Núm. 7
-
Orientation effects in Cl + H 2 inelastic collisions: Characterization of the mechanisms
Physical Chemistry Chemical Physics, Vol. 14, Núm. 8, pp. 2911-2920
-
Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model
Chemical Research in Toxicology, Vol. 25, Núm. 6, pp. 1176-1191
-
Quantum dynamical study of low-energy photoelectron bands of 2-phenylethyl-N,N-dimethylamine
Journal of Chemical Sciences, Vol. 124, Núm. 1, pp. 247-253