Publicaciones en colaboración con investigadores/as de Universidad de Salamanca (91)

2024

  1. Dynamical effects on the O(3P) + D2 reaction and its impact on the Λ-doublet population

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 8, pp. 6752-6762

  2. New Full-Dimensional Reactive Potential Energy Surface for the H4 System

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 5, pp. 1829-1837

  3. Quantum stereodynamics of cold molecular collisions

    Chemical Communications, Vol. 60, Núm. 10, pp. 1239-1256

2023

  1. Cold Collisions of Ro-Vibrationally Excited D2 Molecules

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

  2. Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold

    Chemical Science, Vol. 14, Núm. 38, pp. 10547-10560

  3. 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

  4. 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

  5. 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

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

    Physical Review Letters, Vol. 130, Núm. 3

  7. 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 + D2 Collisions

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 18, 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

2020

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

    Molecules, Vol. 25, Núm. 18