DINÁMICA MOLECULAR
Universidad de Salamanca
Salamanca, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Salamanca (155)
2024
-
BASECOL2023 scientific content
Astronomy and Astrophysics, Vol. 683
-
Collision rate coefficients for C7N− and C10H− with H2
Monthly Notices of the Royal Astronomical Society, Vol. 534, Núm. 3, pp. 1950-1962
-
Computed Rotational Collision Rate Coefficients for Recently Detected Anionic Cyanopolyynes
Astrophysical Journal, Vol. 960, Núm. 1
-
Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds
Organic and Biomolecular Chemistry, Vol. 22, Núm. 32, pp. 6582-6592
-
Determination of collision mechanisms at low energies using four-vector correlations
Faraday Discussions, Vol. 251, pp. 104-124
-
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
-
Efficient Ground-State Recovery of UV-Photoexcited p-Nitrophenol in Aqueous Solution by Direct and Multistep Pathways
Journal of the American Chemical Society, Vol. 146, Núm. 44, pp. 30443-30454
-
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
-
Methane dimer rovibrational states and Raman transition moments
Physical Chemistry Chemical Physics
-
New Full-Dimensional Reactive Potential Energy Surface for the H4 System
Journal of Chemical Theory and Computation, Vol. 20, Núm. 5, pp. 1829-1837
-
Non-adiabatic direct quantum dynamics using force fields: Toward solvation
Journal of Chemical Physics, Vol. 160, Núm. 17
-
OH as a probe of the warm-water cycle in planet-forming disks
Nature Astronomy, Vol. 8, Núm. 5, pp. 577-586
-
Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction
Journal of Chemical Physics, Vol. 160, Núm. 11
-
Quantum stereodynamics of cold molecular collisions
Chemical Communications, Vol. 60, Núm. 10, pp. 1239-1256
-
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
-
Stereodynamical control of cold HD + D2 collisions
Physical Chemistry Chemical Physics, Vol. 26, Núm. 26, pp. 18368-18381
2023
-
Benchmarking non-adiabatic quantum dynamics using the molecular Tully models
Physical Chemistry Chemical Physics, Vol. 26, Núm. 3, pp. 1829-1844
-
Bioluminescence, photophysical, computational and molecular docking studies of fully conformationally restricted enamine infraluciferin
Organic and Biomolecular Chemistry, Vol. 21, Núm. 14, pp. 2941-2949
-
Cold Collisions of Ro-Vibrationally Excited D2 Molecules
Journal of Physical Chemistry A, Vol. 127, Núm. 7, pp. 1619-1627
-
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