Últimas publicaciones Scopus
- 2026
- Nuclear Spin–Spin Coupling Constants from Auxiliary Density Functional Theory Journal of Chemical Theory and Computation · Vol. 22 Article
- Atom-specific vibrational analysis reveals labile bonds in linear and branched PFOA molecules Journal of Chemical Physics · Vol. 164 Article
- 2025
- Hybrid Diagonal Approximation in Time-Dependent Auxiliary Density Functional Theory Journal of Computational Chemistry · Vol. 46 Article
- 2024
- Electronic structure simulations in the cloud computing environment Journal of Chemical Physics · Vol. 161 Article
- A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations Computer Physics Communications · Vol. 295 Article
