DINÁMICA MOLECULAR
Universidad de Salamanca
Salamanca, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Salamanca (154)
2024
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BASECOL2023 scientific content
Astronomy and Astrophysics, Vol. 683
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Collision rate coefficients for C7N− and C10H− with H2
Monthly Notices of the Royal Astronomical Society, Vol. 534, Núm. 3, pp. 1950-1962
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Computed Rotational Collision Rate Coefficients for Recently Detected Anionic Cyanopolyynes
Astrophysical Journal, Vol. 960, Núm. 1
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Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds
Organic and Biomolecular Chemistry, Vol. 22, Núm. 32, pp. 6582-6592
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Determination of collision mechanisms at low energies using four-vector correlations
Faraday Discussions, Vol. 251, pp. 104-124
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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
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Gastroprotective role of a flavonoid-rich subfraction from Fridericia chica (Bonpl.) L. G. Lohmann: a medicinal plant used in the Amazon region
Inflammopharmacology, Vol. 32, Núm. 5, pp. 3499-3519
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Methane dimer rovibrational states and Raman transition moments
Physical Chemistry Chemical Physics
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New Full-Dimensional Reactive Potential Energy Surface for the H4 System
Journal of Chemical Theory and Computation, Vol. 20, Núm. 5, pp. 1829-1837
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Non-adiabatic direct quantum dynamics using force fields: Toward solvation
Journal of Chemical Physics, Vol. 160, Núm. 17
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OH as a probe of the warm-water cycle in planet-forming disks
Nature Astronomy, Vol. 8, Núm. 5, pp. 577-586
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Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction
Journal of Chemical Physics, Vol. 160, Núm. 11
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Quantum stereodynamics of cold molecular collisions
Chemical Communications, Vol. 60, Núm. 10, pp. 1239-1256
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Rate coefficients for the O + H2 and O + D2 reactions: how well ring polymer molecular dynamics accounts for tunelling
Physical Chemistry Chemical Physics, Vol. 26, Núm. 31, pp. 20947-20961
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Stereodynamical control of cold HD + D2 collisions
Physical Chemistry Chemical Physics, Vol. 26, Núm. 26, pp. 18368-18381
2023
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Benchmarking non-adiabatic quantum dynamics using the molecular Tully models
Physical Chemistry Chemical Physics, Vol. 26, Núm. 3, pp. 1829-1844
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Bioluminescence, photophysical, computational and molecular docking studies of fully conformationally restricted enamine infraluciferin
Organic and Biomolecular Chemistry, Vol. 21, Núm. 14, pp. 2941-2949
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Cold Collisions of Ro-Vibrationally Excited D2 Molecules
Journal of Physical Chemistry A, Vol. 127, Núm. 7, pp. 1619-1627
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Collision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ− and CNN 3Σ− in astrophysical environments
Physical Chemistry Chemical Physics, Vol. 25, Núm. 44, pp. 30330-30342
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Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs
Physical Chemistry Chemical Physics, Vol. 26, Núm. 1, pp. 174-184