Publicaciones en las que colabora con José Molina Molina (30)

2002

  1. Structural and electronic effects of the interaction of metal cations with benzene

    Journal of Molecular Structure: THEOCHEM, Vol. 589-590, pp. 337-347

  2. Structurally different dinuclear copper(II) complexes with the same triazolopyrimidine bridging ligand

    European Journal of Inorganic Chemistry, pp. 811-818

  3. Structure and bonding of weak hydrogen peroxide complexes

    Journal of Molecular Structure: THEOCHEM

2001

  1. Recognizing a triple bond between main group atoms

    Theoretical Chemistry Accounts, Vol. 105, Núm. 4-5, pp. 365-373

  2. The three-center-four-electron (3c-4e) bond nature revisited. An atoms-in-molecules theory (AIM) and ELF study

    Theoretical Chemistry Accounts, Vol. 105, Núm. 4-5, pp. 328-337

2000

  1. Chemical bonding in hypervalent molecules revised. 3. Application of the atoms in molecules theory to Y3X-CH2 (X = N, P, or As; Y = H or F) and H2X-CH2 (X = O, S, or Se) ylides

    Journal of the American Chemical Society, Vol. 122, Núm. 6, pp. 1144-1149

  2. Multiple bonding in four-coordinated titanium(IV) compounds

    Inorganic Chemistry, Vol. 39, Núm. 13, pp. 2831-2836

  3. On the aromaticity and Meisenheimer rearrangement of strained heterocyclic amine, phosphine, and arsine oxides

    Journal of Organic Chemistry, Vol. 65, Núm. 25, pp. 8574-8581

  4. Regioselective enzymatic acylations of polyhydroxylated eudesmanes: Semisynthesis, theoretical calculations, and biotransformation of cyclic sulfites

    Journal of Organic Chemistry, Vol. 65, Núm. 24, pp. 8214-8223

  5. Semi-synthesis of triterpene A-ring derivatives from oleanolic and maslinic acids. Part II. Theoretical and experimental 13C chemical shifts

    Journal of Chemical Research - Part S, pp. 211-212

  6. Stabilization in Neutral Bicyclic Sulfoxide Compounds

    Journal of Computational Chemistry, Vol. 21, Núm. 4, pp. 322-327

  7. Theoretical characterization of 5-oxo, 7-oxo and 5-oxo-7-amino[1,2,4]triazolo[1,5-a]pyrimidines

    Journal of the Chemical Society. Perkin Transactions 2, pp. 1675-1680

1999

  1. Adenine-Hydrogen Peroxide System: DFT and MP2 Investigation

    Journal of Physical Chemistry A, Vol. 103, Núm. 24, pp. 4755-4761

  2. Chemical bonding in hypervalent molecules revised. 2. Application of the atoms in molecules theory to Y2XZ and Y2XZ2 (Y = H, F, CH3; X = O, S, Se; Z = O, S) compounds

    Journal of the American Chemical Society, Vol. 121, Núm. 13, pp. 3156-3164

  3. Metal-metal closed-shell interaction in M2X2 (M = Ag, Cu; X = Cl, Br, I) and related compounds [Ag2Br2](PH3)3 and [Cu2Cl2](PH3)2: An RHF, MP2 and DFT study

    Journal of Molecular Structure: THEOCHEM

  4. On the bonding isomerism in three-co-ordinated copper(I) thiocyanates

    Journal of the Chemical Society - Dalton Transactions, pp. 489-496

  5. Theoretical bonding description of alkylidene chalcogen (O, S, Se) difluorides (H2C=XF2): Planar versus bent conformations

    Inorganic Chemistry, Vol. 38, Núm. 26, pp. 6257-6260

1998

  1. Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y3 X and Y3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds

    Journal of the American Chemical Society, Vol. 120, Núm. 33, pp. 8461-8471

  2. Electronic structure of π-allyl-Pd(II) chloride dimer and Pd2X4 (X = Cl,Br,I) model systems: A RHF and density functional theory study

    Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 207-215

  3. Theoretical studies of Ag-Ag closed-shell interaction in the silver(I) dimer Bis-μ-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine) dinitrato disilver(I): A RHF and density functional study

    Journal of Physical Chemistry A, Vol. 102, Núm. 14, pp. 2443-2448