20 citations · 83 across the 15 of their papers we have counts for
3 papers · 1 filter
Nudged Elastic Band Method in the CRYSTAL code. Theory and Applications
Andreha Gelli, Silvia Casassa, Albert Rimola +1
The nudged elastic band (NEB) method is a widely used algorithm for determining minimum energy paths and transition states in chemical reactions and phase transitions. In this work…
Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling
Niccolò Bancone, Rosangela Santalucia, Stefano Pantaleone +4
Understanding the interaction between hydrogen cyanide (HCN) and silicate surfaces is crucial for elucidating the prebiotic processes occurring on interstellar grain cores, as well…
Mechanical Properties of Minerals in Lunar and HED Meteorites from Nanoindentation Testing: Implications for Space Mining
Eloy Peña-Asensio, Josep M. Trigo. Rodríguez, Jordi Sort +2
This study analyzes the mechanical and elemental properties of lunar meteorites DHOFAR 1084, JAH 838, NWA 11444, and HED meteorite NWA 6013. Utilizing microscale rock mechanics exp…