DLGNet: Hyperedge Classification through Directed Line Graphs for Chemical Reactions

Authors: Fiorini, Stefano, Bovolenta, Giulia M., Coniglio, Stefano, Ciavotta, Michele, Morerio, Pietro, Parrinello, Michele, Del Bue, Alessio

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2410.06969

Pathways to Interstellar Amides via Carbamoyl (NH2CO) Isomers by Radical-Neutral Reactions on Ice Grain Mantles

Authors: Silva-Vera, Gabriela, Bovolenta, Giulia M., Rani, Namrata, Vera, Sebastian, Vogt-Geisse, Stefan

Subject Terms: Astrophysics - Astrophysics of Galaxies

Access URL: http://arxiv.org/abs/2407.07081

In-Depth Exploration of Catalytic Sites on Amorphous Solid Water: I. The Astrosynthesis of Aminomethanol

Authors: Bovolenta, Giulia M., Silva-Vera, Gabriela, Bovino, Stefano, Molpeceres, German, Kästner, Johannes, Vogt-Geisse, Stefan

Subject Terms: Astrophysics - Astrophysics of Galaxies

Access URL: http://arxiv.org/abs/2407.03493

The Astrochemistry Low-energy Electron Cross-Section (ALeCS) database I. Semi-empirical electron-impact ionization cross-section calculations and ionization rates

Authors: Gaches, Brandt A. L., Grassi, Tommaso, Vogt-Geisse, Stefan, Bovolenta, Giulia M., Vallance, Claire, Heathcote, David, Padovani, Marco, Bovino, Stefano, Gorai, Prasanta

Subject Terms: Astrophysics - Astrophysics of Galaxies, Astrophysics - Instrumentation and Methods for Astrophysics, Physics - Chemical Physics

Access URL: http://arxiv.org/abs/2310.10739

Binding Energy Evaluation Platform: A database of quantum chemical binding energy distributions for the astrochemical community

Authors: Bovolenta, Giulia M., Vogt-Geisse, Stefan, Bovino, Stefano, Grassi, Tommaso

Subject Terms: Astrophysics - Instrumentation and Methods for Astrophysics, Astrophysics - Astrophysics of Galaxies

Access URL: http://arxiv.org/abs/2207.13095

Methyl formate synthesis via SNAcyl esterification on interstellar ice mantles.

Authors: Bovolenta, Giulia M.^1,2 (AUTHOR) giulia.bovolenta@iit.it, Vogt-Geisse, Stefan¹ (AUTHOR) stvogtgeisse@qcmmlab.com

Source: Journal of Molecular Modeling. Mar2025, Vol. 31 Issue 3, p1-17. 17p.

Pathways to Interstellar Amides via Carbamoyl (NH2CO) Isomers by Radical-Neutral Reactions on Ice Grain Mantles.

Authors: Silva-Vera, Gabriela, Bovolenta, Giulia M., Rani, Namrata, Vera, Sebastian, Vogt-Geisse, Stefan

Source: ACS Earth & Space Chemistry; 7/18/2024, Vol. 8 Issue 7, p1480-1494, 15p