Publications (86)

2023

  1. Cold Collisions of Ro-Vibrationally Excited D2 Molecules

    Journal of Physical Chemistry A, Vol. 127, Núm. 7, pp. 1619-1627

  2. Improving Properties of Podophyllic Aldehyde-Derived Cyclolignans: Design, Synthesis and Evaluation of Novel Lignohydroquinones, Dual-Selective Hybrids against Colorectal Cancer Cells

    Pharmaceutics, Vol. 15, Núm. 3

  3. Li + HF and Li + HCl Reactions Revisited I: QCT Calculations and Simulation of Experimental Results

    The journal of physical chemistry. A, Vol. 127, Núm. 33, pp. 6924-6944

  4. Spin-Forbidden Addition of Molecular Oxygen to Stable Enol Intermediates—Decarboxylation of 2-Methyl-1-tetralone-2-carboxylic Acid

    International Journal of Molecular Sciences, Vol. 24, Núm. 8

  5. Stereodynamical Control of Cold Collisions between Two Aligned D2 Molecules

    Physical Review Letters, Vol. 130, Núm. 3

  6. Universal behavior in complex-mediated reactions: Dynamics of S(1D) + o-D2 → D + SD at low collision energies

    Journal of Chemical Physics, Vol. 158, Núm. 18

2022

  1. Inelastic collision dynamics of oriented NO molecules with Kr atoms

    Molecular Physics, Vol. 120, Núm. 1-2

  2. NHC-catalysed [3 + 2]-asymmetric annulation between pyrazolin-4,5-diones and enals: Synthesis of novel spirocyclic pyrazolone γ-butyrolactones and computational study of mechanism and stereoselectivity

    Organic Chemistry Frontiers, Vol. 9, Núm. 2, pp. 420-427

  3. Role of Low Energy Resonances in the Stereodynamics of Cold He + D2Collisions

    Journal of Physical Chemistry Letters, pp. 4064-4072

2021

  1. Controlling the Spin-Orbit Branching Fraction in Molecular Collisions

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 1, pp. 310-316

  2. DpgC-Catalyzed Peroxidation of 3,5-Dihydroxyphenylacetyl-CoA (DPA-CoA): Insights into the Spin-Forbidden Transition and Charge Transfer Mechanisms**

    Chemistry - A European Journal, Vol. 27, Núm. 5, pp. 1700-1712

  3. Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates

    Journal of Chemical Physics, Vol. 154, Núm. 14

  4. Quantum study of reaction O (3P) + H2(v,j) → OH + H: OH formation in strongly UV-irradiated gas

    Astronomy and Astrophysics, Vol. 648

  5. Signature of shape resonances on the differential cross sections of the S(1D)+H2 reaction

    Journal of Chemical Physics, Vol. 154, Núm. 12

  6. Stereodynamic control of cold rotationally inelastic CO + HD collisions

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 35, pp. 19364-19374

  7. The role of conserved residues in the DEDDh Motif: The proton-Transfer mechanism of HIV-1 RNase H

    ACS Catalysis, Vol. 11, pp. 7915-7927

2020

  1. A Novel Cytotoxic Conjugate Derived from the Natural Product Podophyllotoxin as a Direct-Target Protein Dual Inhibitor

    Molecules, Vol. 25, Núm. 18

  2. Asymmetric [3+2] cycloaddition reaction of a chiral cyclic nitrone for the synthesis of new tropane alkaloids

    Tetrahedron, Vol. 76, Núm. 1

  3. Differential cross sections and collision-induced rotational alignment in inelastic scattering of NO(X) by Xe

    Chinese Journal of Chemical Physics, Vol. 33, Núm. 2, pp. 217-233

  4. Probing the location of the unpaired electron in spin-orbit changing collisions of NO with Ar

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 39, pp. 22289-22301