A quantum–classical study of the effect of the long range tail of the potential on reactive and inelastic OH+ H2 dynamics

C Martí, A Laganà, L Pacifici, F Pirani, C Coletti - Chemical Physics Letters, 2021 - Elsevier
The paper discusses an extension of the time-dependent quantum–classical technique to
the calculation of the OH+ H 2 diatom–diatom collision properties in order to compute rate …

Intermolecular interactions and the weakly bound precursor states of elementary physicochemical processes

F Pirani, S Falcinelli, F Vecchiocattivi… - … Lincei. Scienze Fisiche …, 2023 - Springer
This study concerns the importance of the precursor (or pre-reactive) state of elementary
physicochemical processes whose basic features, as structure, stability, and trapping effect …

Network computing for ab initio modeling the chemical storage of alternative energy

CM Aliod - 2018 - theses.hal.science
The aim of the present thesis encompasses different processes related to the storage of
energy coming from renewable sources. Concretely, this thesis aims to study, from a …

Collisional O2 + N2 State-Selected Cross Sections for Open Science Cloud Reuse

E Garcia, JE Verdasco, A Laganà - The Journal of Physical …, 2020 - ACS Publications
In this paper, we report a quasi-classical trajectory study of the internal energy state
specificity of dissociative O2+ N2 collision rates computed at high temperatures on an …

Collision induced dissociation cross-section for high energy N2-O2 collisions

TK Mankodi, UV Bhandarkar, BP Puranik - Chemical Physics Letters, 2018 - Elsevier
Cross-sections for O 2 and N 2 dissociation on N 2 O 2 CASSCF-CASPT2 PES are
calculated and reported for high energy collisions (up to 30 eV). An earlier reported …

Electrically excited, supersonic flow carbon-monoxide laser with air species in laser mixture

M Yurkovich, Z Eckert, ER Jans… - Journal of Propulsion …, 2018 - arc.aiaa.org
Performance parameters of an electric discharge excited, supersonic flow CO laser operated
with significant amounts of air species in the laser mixture is studied experimentally and by …

Simulation de processus de stockage chimique pour l'énergie renouvelable

CM Aliod - 2018 - theses.fr
L'objectif de la présente thèse englobe différents processus liés au stockage d'énergie
provenant de sources renouvelables. Concrètement, cette thèse vise à étudier, d'un point de …

[PDF][PDF] En vue de l'obtention du

CM ALIOD - 2018 - core.ac.uk
Global warming and fossil fuel depletion are two of the biggest concerns humanity faces
these days. Indeed for the former one, there is a huge consensus on the anthropogenic …