Hyperspherical coordinates and energy partitions for reactive processes and clusters

von Lombardi, Andrea
Veröffentlicht in International Conference of Computational Methods in Sciences and Engineering (2019 : Rhodos, Stadt) Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2019 (ICCMSE-2019) (2019)

A Minimal Model of Potential Energy Surface for the CO2 – CO System

von Caglioti, Concetta
Veröffentlicht in ICCSA (21. : 2021 : Cagliari; Online) Computational science and its applications - ICCSA 2021 ; Part 10 (2021)

Screen representation of structural properties of alanine in polypeptide chains

von Caglioti, Concetta
Veröffentlicht in International Conference of Computational Methods in Sciences and Engineering (2019 : Rhodos, Stadt) Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2019 (ICCMSE-2019) (2019)

A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)

von Barreto, Patricia R. P.
Veröffentlicht in QSCP (23. : 2018 : Krüger-Nationalpark) Advances in quantum systems in chemistry, physics, and biology (2020)

Rate constants and first-principles trajectories for attack at tetrahedral carbon: Role of molecular orientation on chiral selectivity

von Rezende, Marcos Vinicius C. S.
Veröffentlicht in International Conference of Computational Methods in Sciences and Engineering (2019 : Rhodos, Stadt) Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2019 (ICCMSE-2019) (2019)

A Theoretical Study on trans-Resveratrol - Cu(I) Complex

von Caglioti, Concetta
Veröffentlicht in International Conference on Computational Science and its Applications (22. : 2022 : Málaga; Online) Computational science and its applications - ICCSA 2022 workshops ; Part 6 (2022)