Chirality in molecular collision dynamics
A Lombardi, F Palazzetti - Journal of Physics: Condensed Matter, 2018 - iopscience.iop.org
Chirality is a phenomenon that permeates the natural world, with implications for atomic and
molecular physics, for fundamental forces and for the mechanisms at the origin of the early …
molecular physics, for fundamental forces and for the mechanisms at the origin of the early …
Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows
Carbon dioxide molecules can store and release tens of kcal/mol upon collisions, and such
an energy transfer strongly influences the energy disposal and the chemical processes in …
an energy transfer strongly influences the energy disposal and the chemical processes in …
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study
MB Yeamin, N Faginas-Lago, M Albertí, IG Cuesta… - RSC …, 2014 - pubs.rsc.org
The physisorption of molecular hydrogen onto coronene is studied using a multi-scale
theoretical approach with Density Functional Theory (DFT) calculations and Molecular …
theoretical approach with Density Functional Theory (DFT) calculations and Molecular …
Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N2 Inelastic Processes Within an Open Molecular Science Cloud …
A full dimensional Potential Energy Surface (PES) of the CO+ N2 system has been
generated by extending an approach already reported in the literature and applied to N2-N2 …
generated by extending an approach already reported in the literature and applied to N2-N2 …
Hyperspherical coordinates and energy partitions for reactive processes and clusters
A Lombardi, F Palazzetti, MB Sevryuk - AIP Conference Proceedings, 2019 - pubs.aip.org
The hyperspherical coordinate systems have been developed for the study of few-body
scattering problems of nuclear and molecular physics, for example in the practical …
scattering problems of nuclear and molecular physics, for example in the practical …
Symmetry and deformations of cluster and biomolecules by invariant shape coordinates
A Lombardi - AIP Conference Proceedings, 2021 - pubs.aip.org
The hyperspherical coordinate systems have been extensively adopted in the study of few-
body quantum scattering problems in nuclear and molecular physics. The hyperangular …
body quantum scattering problems in nuclear and molecular physics. The hyperangular …
Classification of large biomolecular structures by mapping of shape and deformation parameters
A Lombardi - AIP Conference Proceedings, 2022 - pubs.aip.org
The classification of biomolecule structures is a longstanding issue, mainly motivated by the
need for efficient similarity criteria in connection to the study of their biological activity and …
need for efficient similarity criteria in connection to the study of their biological activity and …
Collisions of chiral molecules theoretical aspects and experiments
The numerous manifestations of molecular chirality in chemistry and biochemistry indicate
the importance in nature of the chiral discrimination. Since long time, these phenomena …
the importance in nature of the chiral discrimination. Since long time, these phenomena …