Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial - neural network approach

B Jiang, J Li, H Guo - International Reviews in Physical Chemistry, 2016 - Taylor & Francis
With advances in ab initio theory, it is now possible to calculate electronic energies within
chemical (< 1 kcal/mol) accuracy. However, it is still challenging to represent faithfully a …

Treatment of non-equilibrium phenomena in thermal plasma flows

V Rat, AB Murphy, J Aubreton… - Journal of Physics D …, 2008 - iopscience.iop.org
Thermal plasma flows provide a uniquely high specific enthalpy source that is well suited to
transformation of matter, often via phase changes. As a consequence, numerous thermal …

[KSIĄŻKA][B] Fundamental aspects of plasma chemical physics

M Capitelli, G Colonna, A D'Angola - 2012 - Springer
In the first two books of the series Fundamental Aspects of Plasma Chemical Physics, we
have discussed thermodynamics 1 and transport 2 of thermal plasmas characterized by …

Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations

F Pirani, S Brizi, LF Roncaratti… - Physical Chemistry …, 2008 - pubs.rsc.org
Scattering data, measured for rare gas–rare gas systems under high angular and energy
resolution conditions, have been used to probe the reliability of a recently proposed …

Millikelvin Reactive Collisions between Sympathetically Cooled Molecular Ions and<? format?> Laser-Cooled Atoms in an Ion-Atom Hybrid Trap

FHJ Hall, S Willitsch - Physical review letters, 2012 - APS
We report on a study of cold reactive collisions between sympathetically cooled molecular
ions and laser-cooled atoms in an ion-atom hybrid trap. Chemical reactions were studied at …

Revealing charge-transfer effects in gas-phase water chemistry

D Cappelletti, E Ronca, L Belpassi… - Accounts of chemical …, 2012 - ACS Publications
An understanding of the interactions involving water and other small hydrogenated
molecules such as H2S and NH3 at the molecular level is an important and elusive scientific …

Experimental and theoretical determination of dissociation energies of dispersion-dominated aromatic molecular complexes

JA Frey, C Holzer, W Klopper, S Leutwyler - Chemical reviews, 2016 - ACS Publications
The dissociation energy (D 0) of an isolated and cold molecular complex in the gas-phase is
a fundamental measure of the strength of the intermolecular interactions between its …

Transport properties of high-temperature Jupiter atmosphere components

D Bruno, C Catalfamo, M Capitelli, G Colonna… - Physics of …, 2010 - pubs.aip.org
Transport properties of high-temperature helium and hydrogen plasmas as well as Jupiter
atmosphere have been calculated for equilibrium and nonequilibrium conditions using …

Imaging spin–orbit excitation of Yttrium through high-energy collisions with rare gas atoms

A Xu, Y Ma, D Yan, F Li, F Song, T Zhou… - The Journal of …, 2024 - ACS Publications
The energy required for spin–orbit excitation plays a critical role in understanding
translational-to-electronic energy conversion, particularly in chemical reactions involving …

Classical transport collision integrals for a Lennard-Jones like phenomenological model potential

A Laricchiuta, G Colonna, D Bruno, R Celiberto… - Chemical Physics …, 2007 - Elsevier
A general purpose analytical expression for collision integrals, up to (ℓ, s)=(4, 4), of non-
reactive interactions between heavy particles is proposed. The expression has been …