A simple and efficient CCSD(T)-F12 approximation

• Bond Dissociation Energies, Proton, Hydride, Electron Affinities, and Ionization Potentials of C1 Hydrocarbon Ions

  2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies

  0

  citations
• Toward Unraveling Cyanopolyyne Surface Chemistry: A Preview on Isolated Systems from HC 3 N to Ethyl Cyanide and Propylamine

  2025 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  5

  citations
• The first HyDRA challenge for computational vibrational spectroscopy

  2023 Physical Chemistry Chemical Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access

  37

  citations
• Discovery of a Missing Link: First Observation of the HONO–Water Complex

  2022 The Journal of Physical Chemistry Letters article Earth and Planetary Sciences Atmospheric chemistry and aerosols Open access

  2

  citations
• Formation of phosphorus monoxide through the $$\mathbf {P}(^{4}S)+\mathbf {O}_{\mathbf {2}}(^{3}\Sigma ^{-})\rightarrow \mathbf {O}(^{3}P)+\mathbf {PO}(^{2}\Pi )$$ reaction

  2022 Journal of Molecular Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Methane Formation in Cold Regions from Carbon Atoms and Molecular Hydrogen

  2022 The Astrophysical Journal article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  25

  citations
• The reactions of propanal/acetone with hydroperoxyl radicals: A theoretical and modeling study

  2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

  4

  citations
• A cryogenic ice setup to simulate carbon atom reactions in interstellar ices

  2020 Review of Scientific Instruments article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  24

  citations
• The Leiden Atomic and Molecular Database (LAMDA): Current Status, Recent Updates, and Future Plans

  2020 Atoms article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  109

  citations
• New theoretical insights into the reaction kinetics of toluene and hydroxyl radicals

  2020 Physical Chemistry Chemical Physics article Earth and Planetary Sciences Atmospheric chemistry and aerosols

  20

  citations
• Unimolecular decomposition of methyl ketene and its dimer in the gas phase: theory and experiment

  2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies

  14

  citations

11 results