Département
Química Física
Publications (89) Publications auxquelles un chercheur a participé
2007
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A DFT study of the [4+2] cycloadditions of conjugated ketenes (vinylketene, imidoylketene and formylketene) with formaldimine. The pericyclic or pseudopericyclic character from magnetic properties
Tetrahedron, Vol. 63, Núm. 23, pp. 4937-4943
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A comparative theoretical study of the pericyclic-pseudopericyclic character in a group of cyclizations of dienylketenes to cyclohexadienones
Journal of Physical Chemistry A, Vol. 111, Núm. 15, pp. 2935-2940
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A computational study of the electrocyclization of o-divinylbenzene and derivatives
Journal of Molecular Structure: THEOCHEM, Vol. 811, Núm. 1-3, pp. 141-151
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A computational study on the stacking interaction in quinhydrone
Journal of Physical Chemistry A, Vol. 111, Núm. 10, pp. 1998-2001
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A density functional theory study of the hydrogen bond interactions in glycine dimers
Chemical Physics Letters, Vol. 445, Núm. 4-6, pp. 117-124
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A density functional theory study on pelargonidin
Journal of Physical Chemistry A, Vol. 111, Núm. 43, pp. 11100-11109
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A dynamical study of the Si+ + H2O reaction
Journal of Physical Chemistry A, Vol. 111, Núm. 43, pp. 10899-10906
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A theoretical study of the influence of BF3 on the reaction path of the [4+2] cycloaddition of vinylketene with formaldimine
Tetrahedron, Vol. 63, Núm. 47, pp. 11617-11621
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An electrochemical model for gold colloid formation via citrate reduction
Zeitschrift fur Physikalische Chemie, Vol. 221, Núm. 3, pp. 415-426
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Annealing effect on the induced magnetism of platinum in FePt nanoparticles
Modern Physics Letters B
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Approximate transferability in conjugated polyalkenes
Chemical Physics Letters, Vol. 437, Núm. 1-3, pp. 1-7
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Atoms in molecules interpretation of the anomeric effect in the O - C - O unit
Journal of Computational Chemistry, Vol. 28, Núm. 9, pp. 1516-1530
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Binding constants of oxytetracycline to animal feed divalent cations
Journal of Food Engineering, Vol. 78, Núm. 1, pp. 69-73
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Blue-shifting hydrogen bond in the benzene-benzene and benzene-naphthalene complexes
Journal of Computational Chemistry, Vol. 28, Núm. 2, pp. 540-546
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Bonding study in all-metal clusters containing Al4 units
Journal of Physical Chemistry A, Vol. 111, Núm. 46, pp. 11885-11893
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COLL 178-Nanorod-coated PNIPAM microgels: Thermoresponsive optical properties
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
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COLL 179-New well-defined hybrid materials with thermoresponsive PNIPAM-shells and inorganic nanoparticle-cores
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
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Characterization of pericyclic reactions using multicenter electron derealization analysis
ChemPhysChem, Vol. 8, Núm. 5, pp. 696-702
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Chemical graph theory and n-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons
Journal of Computational Chemistry, Vol. 28, Núm. 10, pp. 1625-1633
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Chemical sharpening of gold nanorods: The rod-to-octahedron transition
Angewandte Chemie - International Edition, Vol. 46, Núm. 47, pp. 8983-8987