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 …

Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows

A Lombardi, N Faginas-Lago, L Pacifici… - The Journal of Chemical …, 2015 - pubs.aip.org
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 …

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 …

Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N2 Inelastic Processes Within an Open Molecular Science Cloud …

A Lombardi, F Pirani, M Bartolomei, C Coletti… - Frontiers in …, 2019 - frontiersin.org
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 …

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 …

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 …

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 …

Collisions of chiral molecules theoretical aspects and experiments

A Lombardi, F Palazzetti, V Aquilanti… - AIP Conference …, 2018 - pubs.aip.org
The numerous manifestations of molecular chirality in chemistry and biochemistry indicate
the importance in nature of the chiral discrimination. Since long time, these phenomena …