Institut d' investigació
ICMOL
Publicaciones (89) Publicaciones en las que ha participado algún/a investigador/a
1998
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A four-member ring hypervalent iodine radical
Journal of Physical Chemistry A, Vol. 102, Núm. 48, pp. 9975-9977
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A novel polyaryl ether based photorefractive composite
Chemistry of Materials, Vol. 10, Núm. 12, pp. 3951-3957
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A theoretical study of the mechanism of the hydride transfer reaction between alkanes and alkenes catalyzed by an acidic zeolite
Journal of Physical Chemistry A, Vol. 102, Núm. 48, pp. 9863-9868
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AMYR 2: A new version of a computer program for pair potential calculation of molecular associations
Computer Physics Communications, Vol. 115, Núm. 1, pp. 87-89
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Ab initio molecular orbital study of the substituent effect on phosphine-borane complexes
Chemical Physics Letters, Vol. 296, Núm. 3-4, pp. 277-282
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Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: Ethene
Journal of Organic Chemistry, Vol. 63, Núm. 20, pp. 6978-6983
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An efficient preparation of ditopic receptors based on polyaza[n]paracyclophanes
Chemical Communications, pp. 1823-1824
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Anisotropic exchange coupling in the Keggin derivative K 8[ Co 2 (D 2 O)(W 11 O 39 )] · n D 2 O
Chemical Physics Letters, Vol. 289, Núm. 3-4, pp. 224-230
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Application of SQMFF vibrational calculations to transition states: DFT and ab initio study of the kinetics of methyl azide and ethyl azide thermolysis
Journal of Physical Chemistry A, Vol. 102, Núm. 7, pp. 1146-1151
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Application of the size-consistent self-consistent intermediate hamiltonian approach to different SDCI. The excited states of N2
Chemical Physics Letters, Vol. 291, Núm. 3-4, pp. 407-413
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Benzoannulated quinone-type electron acceptors: Evolution of the molecular and electronic structures upon reduction
Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 135-143
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C-60-based electron acceptor organofullerenes
RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, VOL 6
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Characterizing cavities in model inclusion molecules: A comparative study
Journal of Molecular Graphics and Modelling, Vol. 16, Núm. 2, pp. 57-71
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Charge Transfer Salts Based on Polyoxometalates and Seleno-Substituted Organic Donors. Synthesis, Structure, and Magnetic Properties of (BEST)3H[PMo12O40]·CH 3CN·CH2Cl2 (BEST = Bis(ethylenediseleno)tetrathiafulvalene)
Inorganic Chemistry, Vol. 37, Núm. 9, pp. 2183-2188
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Comparative G2(MP2) study of H3NBX3 and H3PBX3 (X = H, F, and Cl) donor-acceptor complexes
Journal of Physical Chemistry A, Vol. 102, Núm. 35, pp. 7070-7073
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Crystal structure, magnetic properties and esr studies of (4-apyH)4[CuIIBr4] [CuIBr2]2: A novel Cu(II)Cu(I) system containing bromocuprate(I) chains and isolated tetrabromocuprate(II) anions
Polyhedron, Vol. 17, Núm. 22, pp. 3875-3880
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Crystal structures and magnetic properties of uniform and alternating azido-bridged (2,2′-bipyridyl) copper(II) chains
Inorganica Chimica Acta, Vol. 282, Núm. 1, pp. 82-89
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Cyclodextrin enhanced fluorimetric method for the determination of tryptamine
Analyst, Vol. 123, Núm. 7, pp. 1587-1591
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Determination of the magnetic axes of cobalt(II) and nickel(II) azurins from 1H NMR data: Influence of the metal and axial ligands on the origin of magnetic anisotropy in blue copper proteins
Biochemistry, Vol. 37, Núm. 24, pp. 8659-8673
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Different Ground Spin States in Iron(III) Complexes with Quadridentate Schiff Bases: Synthesis, Crystal Structures, and Magnetic Properties
Inorganic Chemistry, Vol. 37, Núm. 20, pp. 5102-5108