Publications dans lesquelles il/elle collabore avec DIMAS SUAREZ RODRIGUEZ (13)

2021

  1. New models involving quantum chemical parameters for assessing the chromatographic retention process

    Microchemical Journal, Vol. 170

2014

  1. A combined semiempirical and DFT computational protocol for studying bioorganometallic complexes: Application to molybdocene-cysteine complexes

    Journal of Computational Chemistry, Vol. 35, Núm. 4, pp. 324-334

2013

  1. Insights into the hydrolytic chemistry of molybdocene dichloride based on a theoretical mechanistic study

    Theoretical Chemistry Accounts, Vol. 132, Núm. 12, pp. 1-11

2012

  1. Theoretical study of the oxidation of histidine by singlet oxygen

    Chemistry - A European Journal, Vol. 18, Núm. 27, pp. 8437-8447

2011

  1. Quantum chemical calculations of stability constants: Study of ligand effects on the relative stability of Pd(II)-peptide complexes

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 465-475

2010

  1. Understanding regioselective cleavage in peptide hydrolysis by a palladium(II) aqua complex: A theoretical point of view

    Journal of Physical Chemistry B, Vol. 114, Núm. 25, pp. 8525-8535

2006

  1. Formation of trichlorinated dibenzo-p-dioxins from 2,4-dichlorophenol and 2,4,5-trichlorophenolate: A theoretical study

    ChemPhysChem, Vol. 7, Núm. 11, pp. 2331-2338

  2. Theoretical studies on the ring opening of β-lactams: Processes in solution and in enzymatic media

    Current Organic Chemistry, Vol. 10, Núm. 7, pp. 805-821

1998

  1. Theoretical study of the [2+2] cycloaddition of thioketenes with imines to form β-thiolactams

    Chemistry - A European Journal, Vol. 4, Núm. 2, pp. 328-334

1996

  1. Ab initio study of the effect of CH ⋯ O hydrogen bonding on the exo/ endo stereoselectivity of Diels-Alder reactions of 2-substituted-1,3-dienes with sulfur dioxide

    International Journal of Quantum Chemistry, Vol. 57, Núm. 3, pp. 493-499

1995

  1. Solvent effects on the stereoselectivity of ketene-imine cycloaddition reactions

    Journal of the Chemical Society, Chemical Communications, pp. 1677-1678

  2. Theoretical study of the gas‐phase addition of HF and HCl to ethylene: Analysis of the catalytic action of dimeric halides

    Journal of Computational Chemistry, Vol. 16, Núm. 6, pp. 659-666

1993

  1. ANACAL: a program to carry out a configurational analysis of the wave function of reactive systems

    Computer Physics Communications, Vol. 76, Núm. 2, pp. 235-249