Pablo Campomanes Ramos-rekin lankidetzan egindako argitalpenak (23)

2010

  1. Heterogeneous reaction mechanisms of the reduction of nitric oxide on carbon surfaces: A theoretical analysis

    Theoretical Chemistry Accounts, Vol. 127, Núm. 1, pp. 95-108

  2. Reactivity of a rhenium hydroxo-carbonyl complex toward carbon disulfide: Insights from theory

    Dalton Transactions, Vol. 39, Núm. 3, pp. 874-882

  3. 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

2009

  1. On the mechanism of cyclization of 5-hexenylchromate intermediates in the reactions of fischer carbene complexes with a lithium enolate and allylmagnesium bromide

    Journal of Organic Chemistry, Vol. 74, Núm. 18, pp. 7059-7066

2008

  1. A theoretical study on the reactivity of a rhenium hydroxo-carbonyl complex towards β-lactams

    European Journal of Inorganic Chemistry, pp. 4547-4554

  2. Ring opening at N1-C2 bond of azetidin-2-ones by a molybdenum hydroxo-carbonyl complex: Evidence from a computational study

    Dalton Transactions, pp. 6427-6434

2007

  1. A theoretical study of the cleavage of the amide bond of formamide by attack of the hydroxyl ligand in [Mo(OH)(η3-C3H5)(CO)2(N2C2H4)] and [Re(OH)(CO)3(N2C2H4)] complexes

    Journal of Molecular Structure: THEOCHEM, Vol. 811, Núm. 1-3, pp. 241-247

  2. Molecular magnetic properties of heteroporphyrins: A theoretical analysis

    Physical Chemistry Chemical Physics, Vol. 9, Núm. 42, pp. 5644-5648

  3. Structure, aromaticity, and bonding in subporphyrins: Theoretical study of [14]tribenzosubporphine(1.1.1)hydroxyboron(III) and [14]subporphine(1.1.1) hydroxyboron(III) complexes

    Journal of Porphyrins and Phthalocyanines, Vol. 11, Núm. 11-12, pp. 815-821

  4. The importance of a conformational equilibrium on the reactivity of molybdenum and rhenium hydroxo-carbonyl complexes toward phenyl acetate: A theoretical investigation

    Organometallics, Vol. 26, Núm. 22, pp. 5271-5277

2006

  1. A theoretical proposal for the synthesis of carbapenems from 4-(2-propynyl)azetidinones promoted by [W(CO)5] as an alternative to the Ag+-assisted process

    Chemistry - A European Journal, Vol. 12, Núm. 30, pp. 7929-7934

  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

2005

  1. A theoretical analysis of the coordination modes of CuII with penicillins: Activation of the β-lactam C-N bond

    ChemPhysChem, Vol. 6, Núm. 2, pp. 344-351

  2. Mechanism of cycloaddition reactions between ketene and N-silyl-, N-germyl-, and N-stannylimines: A theoretical investigation

    Journal of Physical Chemistry A, Vol. 109, Núm. 48, pp. 11022-11026

  3. Resonance assisted hydrogen bonding and dynamic mechanism for crystal disorder in the enolic form of acetylacetone: A theoretical analysis

    Journal of Molecular Structure: THEOCHEM, Vol. 713, Núm. 1-3, pp. 59-63

  4. Stereodynamics of bond rotation in tertiary 1-naphthoic acid amides: A computational study

    Journal of Computational Chemistry, Vol. 26, Núm. 4, pp. 365-373

  5. Synthesis of β-lactams by Ag+-induced ring expansion of 1-hydroxycyclopropylamines: A theoretical analysis

    Journal of Physical Chemistry A, Vol. 109, Núm. 34, pp. 7822-7831

  6. The formation of silylated β-lactams from silylketenes through Lewis acid promoted [2+2] cycloaddition: A combined theoretical and experimental study

    European Journal of Organic Chemistry, pp. 2599-2606

2004

  1. Theoretical study of intramolecular SN2 reactions of 3- halogen or 3-Hydroxypropanamides to obtain β-lactams

    Journal of Physical Chemistry A, Vol. 108, Núm. 50, pp. 11109-11115

2003

  1. Synthesis of β-lactams from a N-rhenaimine: Effect of the transition metal on the energetic profile of the Staudinger reaction

    Journal of the American Chemical Society, Vol. 125, Núm. 13, pp. 3706-3707