Institut d' investigació
ICMOL
Publicaciones (22) Publicaciones en las que ha participado algún/a investigador/a
1985
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A molecular orbital approach to a comprehensive cracking mechanism for linear long chain alkanes in heterogeneous acid catalytic conditions through carbenium ion β-cleavage
Journal of the Chemical Society, Perkin Transactions 2, pp. 333-340
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A pseudopotential ab initio study of a β-complex between transition metals and allyl anion
Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 479-484
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A pseudopotential ab initio study on the interaction between propynyl cation and copper monoion
Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 485-490
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Ab initio study of rotational isomerism and electronic structure of isomeric bipyrroles
Journal of Molecular Structure: THEOCHEM, Vol. 124, Núm. 3-4, pp. 307-317
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Anion coordination chemistry. Hexacyanoferrate(II) anion complexed by a large polycharged azacycloalkane. Potentiometric and electrochemical studies
Inorganica Chimica Acta, Vol. 102, Núm. 1
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Calorimetric and potentiometric study of the deprotonation reactions of violuric acids
Thermochimica Acta, Vol. 89, Núm. C, pp. 343-350
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Catalytic role of copper(I) ion on the propargylic transposition. A theoretical study
Journal of Physical Chemistry, Vol. 89, Núm. 22, pp. 4769-4773
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Comparative studies of M-perchlorate complexes of Cimetidine: [M = Co(II), Ni(II), Cu(II)] from powder X-ray diffraction
Zeitschrift fur Kristallographie - New Crystal Structures, Vol. 173, Núm. 1-2, pp. 155-157
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Conformational behaviour of 1H-pyrrole,2-(2-furanyl) and structural isomers
Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 29-33
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EFFICIENCY IMPROVEMENT IN I. T. O. /P-TYPE INDIUM SELENIDE SOLAR CELLS.
Commission of the European Communities, (Report) EUR
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Extension of a nonempirical Heisenberg Hamiltonian to heteroatomic conjugated systems: Imines
Journal of Physical Chemistry, Vol. 89, Núm. 6, pp. 978-982
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Ferrimagnetic Heisenberg chain; Influence of a random exchange interaction
Journal of Applied Physics, Vol. 57, Núm. 8, pp. 3353-3355
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INDIUM SELENIDE BACK SURFACE FIELD SOLAR CELLS.
Proceedings of Melecon '85: Mediterranean Electrochemical Conference.
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Molecular associations between lumiflavine and some β-carbolines
Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 21-27
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On the formation of methane and hydrogen during cracking of alkanes
Journal of Molecular Catalysis, Vol. 32, Núm. 3, pp. 365-375
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Pseudopotential Ab initio study of allylcopper complex: application to propene catalytic partial oxidation mechanism
Journal of Molecular Structure: THEOCHEM, Vol. 22, Núm. 1-5, pp. 57-67
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Rotational barrier of the allylcopper complex. An ab initio molecular-orbital study
Chemical Physics Letters, Vol. 114, Núm. 5-6, pp. 516-519
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Spectroscopy and Photochemistry of Conjugated Nonprotonated Schiff Bases: Application of an ab Initio Derived Heisenberg Effective Hamiltonian
Journal of the American Chemical Society, Vol. 107, Núm. 7, pp. 1985-1992
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Study of a medium‐size biological molecular association by means of a pair potential semiempirical approach: β‐carboline–lumiflavin
Journal of Computational Chemistry, Vol. 6, Núm. 5, pp. 441-446
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The role of different types of acid site in the cracking of alkanes on zeolite catalysts
Journal of Catalysis, Vol. 93, Núm. 1, pp. 30-37