6.9k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR336 papers
- ETH ZurichCH215 papers
- Petersburg Nuclear Physics InstituteRU204 papers
- Massachusetts Institute of TechnologyUS182 papers
- European Organization for Nuclear ResearchCH168 papers
- Institut National de Physique Nucléaire et de Physique des ParticulesFR167 papers
- University of GenevaCH163 papers
- Hungarian Academy of SciencesHU159 papers
- California Institute of TechnologyUS145 papers
- Paul Scherrer InstituteCH143 papers
- University of BolognaIT143 papers
- University of MichiganUS143 papers
5 papers · 2 filters
Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding
Yasmine S. Al-Hamdani, Dario Alfè, O. Anatole von Lilienfeld +1
Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces whereas, the role of exchange has…
Visible absorptions of potential diffuse ISM hydrocarbons: CH and CH radicals
Mathias Steglich, Surajit Maity, John P. Maier
The laboratory detection of previously unobserved resonance-stabilized CH and CH radicals in the supersonic expansion of a hydrocarbon discharge source is reported.…
Understanding molecular representations in machine learning: The role of uniqueness and target similarity
Bing Huang, O. Anatole von Lilienfeld
The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics,…
Fine- and hyperfine-structure effects in molecular photoionization: II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations
Matthias Germann, Stefan Willitsch
Resonance-enhanced multiphoton ionization (REMPI) is a widely used technique for studying molecular photoionization and producing molecular cations for spectroscopy and dynamics st…
Fine- and hyperfine-structure effects in molecular photoionization: I. General theory and direct photoionization
Matthias Germann, Stefan Willitsch
We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibr…