Departamento
Departamento de Química Física
Artigos (56) Publicacións nas que participase algún/ha investigador/a
2001
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A direct dynamics study of the H2 elimination from 2,5-dihydrofuran
Journal of Chemical Physics, Vol. 115, Núm. 17, pp. 7872-7880
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A quantum-dynamics study of the prototropic tautomerism of guanine and its contribution to spontaneous point mutations in Escherichia coli
Biopolymers, Vol. 61, Núm. 1, pp. 77-83
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A theoretical study of the S + C2H reaction: Potential energy surfaces and dynamics
Journal of Physical Chemistry A, Vol. 105, Núm. 19, pp. 4716-4725
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A theoretical study of the low-lying electronic states of SC3
Chemical Physics Letters, Vol. 343, Núm. 1-2, pp. 105-112
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Ab initio calculations on the vinyl fluoride fragmentation reactions
Structural Chemistry, Vol. 12, Núm. 2, pp. 95-100
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Ab initio study of the intramolecular proton transfer in dihydroxyanthraquinones
Journal of Molecular Structure: THEOCHEM, Vol. 542, Núm. 1-3, pp. 63-77
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Anharmonic quasiclassical barrier samplings in trajectory calculations and their influence on the computed product energy distributions
Journal of Physical Chemistry A, Vol. 105, Núm. 20, pp. 4808-4813
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Changes in the fraction of uncomplexed cyclodextrin in equilibrium with the micellar system as a result of balance between micellization and cyclodextrin-surfactant complexation. Cationic alkylammonium surfactants
Journal of Physical Chemistry B, Vol. 105, Núm. 21, pp. 4912-4920
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Comment on "the importance of high-order correlation effects for the CO-CO interaction potential" [Chem. Phys. Lett. 314 (1999) 326]
Chemical Physics Letters, Vol. 334, Núm. 4-6, pp. 419-423
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Comment on “Paramagnetic anomalies above the Curie temperature and colossal magnetoresistance in optimally doped manganites”
Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 10
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Conductivity of sodium bis(2-ethylhexyl)sulfosuccinate/isooctane/water microemulsions containing phase-transfer catalysts. 2
Journal of Chemical and Engineering Data, Vol. 46, Núm. 3, pp. 526-534
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Design of Fluorinated Acrylic-Based Polymers as Water Repellent, Intrinsically Photostable Coating Materials for stone
ACS Symposium Series, Vol. 787, pp. 129-142
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Desorption of amphotericin B from mixed monolayers with cholesterol at the air/water interface
Journal of Colloid and Interface Science, Vol. 234, Núm. 2, pp. 351-355
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Double proton transfer in the complex of acetic acid with methanol: theory versus experiment
Journal of Chemical Physics, Vol. 114, Núm. 4, pp. 1567-1574
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Dynamics of the water-catalyzed phototautomerization of 7-azaindole
Journal of Chemical Physics, Vol. 114, Núm. 17, pp. 7518-7526
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Effect of fulvic acid concentration on modeling electrostatic and heterogeneity effects in proton binding reactions
Analytica Chimica Acta, Vol. 434, Núm. 1, pp. 105-112
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Effects of the intermicellar exchange on the size control of nanoparticles synthesized in microemulsions
Langmuir, Vol. 17, Núm. 23, pp. 7251-7254
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Electron paramagnetic resonance and magnetization in Co doped La2/3Ca1/3MnO3
Journal of Applied Physics, Vol. 89, Núm. 11 II, pp. 7422-7424
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Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals
Journal of Chemical Physics, Vol. 114, Núm. 16, pp. 6983-6993
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Ground- and excited-state tautomerism in anionic 2-(6'-hydroxy-2'-pyridyl)benzimidazoie: Role of solvent and temperature
Journal of Physical Chemistry A, Vol. 105, Núm. 45, pp. 10249-10260