First close-coupling study of the excitation of a large cyclic molecule: collision of c-C5H6 with He
Title: First close-coupling study of the excitation of a large cyclic molecule: collision of c-C5H6 ...
Simulating high-pressure surface reactions with molecular beams
Title: Simulating high-pressure surface reactions with molecular beams Authors: Amjad Al Taleb, Frederik Schiller, Denis V. ...
Rotational spectra and semi-experimental structures of furonitrile and its water cluster
Title: Rotational spectra and semi-experimental structures of furonitrile and its water cluster Authors: Mattia Melosso, ...
Reactive collisions between electrons and BeH+ above dissociation threshold
Title: Reactive collisions between electrons and BeH+ above dissociation threshold Authors: Emerance Djuissi, Jeoffrey Boffelli, ...
Towards the generation of potential energy surfaces of weakly bound medium sized molecular systems: The case of benzonitrile – He complex
Title: Towards the generation of potential energy surfaces of weakly bound medium sized molecular systems: ...
Toward the identification of cyano-astroCOMs via vibrational features: benzonitrile as a test case
Title: Toward the identification of cyano-astroCOMs via vibrational features: benzonitrile as a ...
The role of Na decoration on the hydrogen adsorption on coronene: A combined experimental and computational study
Title: The role of Na decoration on the hydrogen adsorption on coronene: A combined experimental ...
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes
Title: Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes Authors: Thantip Roongcharoen, ...
Functionalized Amorphous Carbon Materials via Reactive Molecular Dynamics Simulations
Title: Functionalized Amorphous Carbon Materials via Reactive Molecular Dynamics Simulations Authors: ...
Selective Oxidation of Methanol to Methyl Formate on Gold: The Role of Low-Coordinated Sites Revealed by Isothermal Pulsed Molecular Beam Experiments and AIMD Simulations
Title: Selective Oxidation of Methanol to Methyl Formate on Gold: The Role of Low-Coordinated ...
