Institut d' investigació
ICMOL
Publicaciones (34) Publicaciones en las que ha participado algún/a investigador/a
1991
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A MRCI PS and CASSCF study of the ground state MgO dissociation energy
Chemical Physics Letters, Vol. 186, Núm. 4-5, pp. 386-392
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A restricted active space (RAS) SCF study of the lifetime of the A3Π state of OH+
Theoretica Chimica Acta, Vol. 79, Núm. 2, pp. 81-92
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A solution study of complex formation between iron(III) and oxalate in dimethylsulphoxide
Transition Metal Chemistry, Vol. 16, Núm. 1, pp. 31-34
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A solution study of the protonation and deprotonation equilibria of 5,10,15,20-tetra(p-sulphonatophenyl)porphyrin. Stability constants of its magnesium(II), copper(II) and zinc(II) complexes
Journal of the Chemical Society, Dalton Transactions, pp. 1945-1949
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Additions and Corrections: Spin Transition in Fe(py)2L- (NCS)2 Complexes, Where py = Pyridine and L = 2,2’-Bipyrimidine (bpym) and 1, 10-Phenanthroline (phen): Magnetic, Calorimetric, and Mössbauer-Effect Investigation. Crystal Structure of [Fe- (py)2bpym(NCS)2]·0.25py (Inorg. Chem. (1990) 29(22) (4442–4448) (10.1021/ic00347a022))
Inorganic Chemistry
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Asociaciones moleculares en azinas y macrociclos: aplicación del potencial intermolecular de Fraga : tesis doctoral
Universidad de Valencia = Universitat de València
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Band structure calculations on one-dimensional stacks of extended phthalocyanine-based macrocycles
Synthetic Metals, Vol. 42, Núm. 3, pp. 2647-2652
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CALCULATION OF GEOMETRICAL DESCRIPTORS AND TOPOLOGICAL INDEXES OF MOLECULES - A VECTORIZED PROGRAM
HIGH PERFORMANCE COMPUTING II
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Cadenas ferrimagnéticas: precursoras de ferroimanes de base molecular
5a. Reunión Científica Plenaria de Química Inorgánica : Tossa de Mar, Costa Brava, Girona, 22-26 de septiembre de 1991 : [libro de resúmenes] (s.n.)
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Classical-spin approach to a magnetic comb-like chain: application to the two-sublattice chain compound MnMn(CDTA)·7H2O
Chemical Physics Letters, Vol. 186, Núm. 4-5, pp. 410-414
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Co-ordination tendency of [3k]aneNk polyazacycloalkanes. Thermodynamic study of solution equilibria
Journal of the Chemical Society, Dalton Transactions, pp. 1171-1174
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Complex formation between oxalate and (2,2′:6′,2′-terpyridyl)copper(II) in dimethyl sulphoxide solution. Synthesis and crystal structures of mono- and di-nuclear complexes
Journal of the Chemical Society, Dalton Transactions, pp. 1937-1944
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Complex formation between squarate (C4O42-) and CuIIL [l = 2,2′-bipyridyl, 2,2′: 6′,2′ -terpyridyl or bis(2-pyridylcarbonyl)amide anion (bpca)] in dimethyl sulphoxide solution. Crystal structure of [cu2(bpca)2(H2O)2(C 4O4)]
Journal of the Chemical Society, Dalton Transactions, pp. 2533-2538
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Contribution of x-ray diffraction to the study of spin transitions in some iron (ii) complexes
Phase Transitions, Vol. 32, Núm. 1-4, pp. 193-203
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Crystal Structure and Magnetic Properties of [Fe(pyz)2(NCS)2]n (pyz = Pyrazine), a 2D Sheetlike Polymer
Inorganic Chemistry
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Electronic structure of polysilane oligomers
Synthetic Metals, Vol. 43, Núm. 1-2, pp. 3457-3462
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From 1-D to 3-D Ferrimagnets in the EDTA Family: Magnetic Characterization of the Tetrahydrate Series MtM(M′EDTA)2.4H20 [Mt, M, M′ = Co(II), Ni(II), Zn(II)]
Journal of the American Chemical Society, Vol. 113, Núm. 21, pp. 7940-7944
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HIGH-PRESSURE SINGLE-CRYSTAL X-RAY-DIFFRACTION STUDY OF THE SPIN CROSSOVER IRON(II) COMPLEX FE(PHEN)2(NCS)2
HIGH PRESSURE RESEARCH, VOL 7 AND 8, NOS 1-3
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High pressure single crystal x-ray diffraction study of the spin crossover iron(II) complex Fe(Phen)2(Ncs)2
High Pressure Research, Vol. 7, Núm. 1-6, pp. 336-338
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Improved AMYR program: an algorithm for the theoretical simulation of molecular associations, including geometrical and topological characterization of the dimers
Journal of Molecular Graphics, Vol. 9, Núm. 4, pp. 254-256