Departamento
Química Física
Publicaciones (67) Publicaciones en las que ha participado algún/a investigador/a
1997
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State-resolved stereodynamics of an insertion reaction O(
1
D
2
) + H
2
(v = 0, j) → OH(X
2
II
1
; v', N', f' ) + H
Israel Journal of Chemistry, Vol. 37, Núm. 4, pp. 317-327
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A potential energy surface for the electronic ground state of H2Te derived from experiment
Journal of Molecular Spectroscopy, Vol. 185, Núm. 2, pp. 282-289
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A spectroscopic study of several beta-lactams by FT-IR and theoretical methods
SPECTROSCOPY OF BIOLOGICAL MOLECULES: MODERN TRENDS
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A study of para-aminobenzoic acid: Structure, frequencies, torsion and inversion barriers of the amino group
SPECTROSCOPY OF BIOLOGICAL MOLECULES: MODERN TRENDS
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Ab initio calculations of the structure and inversion barriers of chloramide, H2NCl, and N-chloro-N-methylmethanamine, (CH3)2NCl
Journal of Molecular Structure: THEOCHEM, Vol. 417, Núm. 3, pp. 215-221
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Ab initio simulation of molecular beam experiments for the F + H2 → HF + H reaction
Journal of Physical Chemistry A, Vol. 101, Núm. 36, pp. 6403-6414
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Ab initio study of bromine dioxides OBrO and BrOO
Journal of Physical Chemistry A, Vol. 101, Núm. 9, pp. 1767-1773
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Accurate simulations of the vapor-liquid equilibrium of important organic solvents and other diatomics
Journal of Physical Chemistry B, Vol. 101, Núm. 34, pp. 6763-6771
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Adsorption isotherm for flexible molecules in random porous media. Can we regard the system as a binary mixture?
Journal of Chemical Physics, Vol. 106, Núm. 5, pp. 1997-2011
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Aggregation number of the n-cetyl-beta-D-glucopyranoside micelles in the presence and absence of salt at 298.15K by a steady state fluorescence method
SPECTROSCOPY OF BIOLOGICAL MOLECULES: MODERN TRENDS
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Application of trajectory surface hopping to vibrational predissociation
Chemical Physics Letters, Vol. 280, Núm. 3-4, pp. 185-188
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Classical reaction probabilities, cross sections and rate constants for the O(1D) + H2 → OH + H reaction
Chemical Physics Letters, Vol. 278, Núm. 4-6, pp. 313-324
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Collisional Probing of the Transition‐State Structure of a Bimolecular Reaction
Israel Journal of Chemistry
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Correlation satellite driven by reduced dimensionality
Europhysics Letters, Vol. 39, Núm. 4, pp. 429-434
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Corrigendum: The tryptophan/histidine interaction in α-helices (J. Mol. Biol. (1997) 267 (184-197))
Journal of Molecular Biology
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Determination of the potential parameters of a site model from calculations of second virial coefficients of linear and branched alkanes
Molecular Physics, Vol. 91, Núm. 2, pp. 189-202
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Dielectric study of poly(methylacrylate) plus poly(4-hydroxystyrene) or plus poly(4-hydroxystyrene-co-4-methoxystyrene) blends near the glass transition
Polymer, Vol. 38, Núm. 20, pp. 5097-5105
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Dynamic light scattering and infrared spectroscopic studies of the interaction of poly(vinylpyrrolidone) polymers with aerosol OT/isooctane water-in-oil microemulsions
Langmuir, Vol. 13, Núm. 23, pp. 6095-6099
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Effect of electron correlation on interpretation of vibrational spectra and on energy barrier and structural parameter estimates for simplest amines
SPECTROSCOPY OF BIOLOGICAL MOLECULES: MODERN TRENDS
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Effect of pH on the encapsulation of the salicylic acid / salicylate system by hydroxypropyl-β-cyclodextrin at 25°C. A fluorescence enhancement study in aqueous solutions
Journal of Inclusion Phenomena and Molecular Recognition in Chemistry, Vol. 29, Núm. 2, pp. 119-136