D. Talbi
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View article: Revisiting the formation of molecules and dust in core collapse supernovae
Revisiting the formation of molecules and dust in core collapse supernovae Open
Context. Core-collapse Supernovae of Type II contribute the chemical enrichment of galaxies through explosion. Their role as dust producers in the high-redshift Universe may be of paramount importance. However, the type and amount of dust …
View article: Dissociative recombination of NeH+ with low-energy electrons: Multichannel quantum defect theory including non-adiabatic couplings
Dissociative recombination of NeH+ with low-energy electrons: Multichannel quantum defect theory including non-adiabatic couplings Open
Theoretical investigation of the dissociative recombination (DR) of NeH+ with low-energy electrons in the regime where the process occurs without direct potential energy curve crossings is presented. The calculations are performed using mu…
View article: Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: A preliminary for the modeling of the dissociative recombination of NeH+
Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: A preliminary for the modeling of the dissociative recombination of NeH+ Open
Potential energy curves and matrix elements of radial non-adiabatic couplings of the 2Σ+ and 2Π states of the NeH molecule are calculated using the electronic structure package MOLPRO, in view of the study of the reactive collisions betwee…
View article: Low temperature dynamics of H + HeH+→ H2+ + He reaction: On the importance of long-range interaction
Low temperature dynamics of H + HeH+→ H2+ + He reaction: On the importance of long-range interaction Open
While the growing realization of the importance of long-range interactions is being demonstrated in cold and ultracold bimolecular collision experiments, their influence on one of the most critical ion-neutral reactions has been overlooked…
View article: Temperature driven transformations of glycine molecules embedded in interstellar ice
Temperature driven transformations of glycine molecules embedded in interstellar ice Open
Possible transformations of canonical neutral glycine in interstellar water clusters and ices.
View article: Detection and modelling of CH3NC in TMC-1
Detection and modelling of CH3NC in TMC-1 Open
Two closely related isomeric pairs of cyanides, CH3[CN/NC] and H2C[CN/NC], are studied in cold, dark interstellar cloud conditions. In contrast to the diverse detections of methyl cyanide (CH3CN) in space, methyl isocyanide (CH3NC) has pre…
View article: Dissociative recombination of N$_2$H$^+$: A revisited study
Dissociative recombination of N$_2$H$^+$: A revisited study Open
Dissociative recombination of N$_2$H$^+$ is explored in a two-step theoretical study. In a first step, a diatomic (1D) rough model with frozen NN bond and frozen angles is adopted, in the framework of the multichannel quantum defect theory…
View article: Population of ground and lowest excited states of sulfur via the dissociative recombination of SH+ in the diffuse interstellar medium
Population of ground and lowest excited states of sulfur via the dissociative recombination of SH+ in the diffuse interstellar medium Open
Our previous study on dissociative recombination of ground state SH+ through 2Π states of SH is extended by taking into account the contribution of 4Π states recently explored by quantum chemistry methods. Multichannel quantum defect theor…
View article: Atomistic simulations of the aggregation of small aromatic molecules in homogenous and heterogenous mixtures
Atomistic simulations of the aggregation of small aromatic molecules in homogenous and heterogenous mixtures Open
We describe a mechanism and structural analysis for cosmic dust grain seed formation around carbon-rich starsviapolyaromatic hydrocarbon aggregation using computer simulations.
View article: Electronic reactive collisions in cold ionised media: from mechanisms to new state-to-state cross sections and rate coefficients
Electronic reactive collisions in cold ionised media: from mechanisms to new state-to-state cross sections and rate coefficients Open
Synopsis The major mechanisms governing the dynamics of electron-driven reactions of molecular cations will be illustrated.
View article: Experimental and Theoretical Study of the Chemical Network of the Hydrogenation of NO on Interstellar Dust Grains
Experimental and Theoretical Study of the Chemical Network of the Hydrogenation of NO on Interstellar Dust Grains Open
International audience
View article: THE KEY ROLE OF NUCLEAR-SPIN ASTROCHEMISTRY
THE KEY ROLE OF NUCLEAR-SPIN ASTROCHEMISTRY Open
Thanks to the new spectroscopic windows opened by the recent_x000d_\ngeneration of telescopes, a large number of molecular lines have been_x000d_\ndetected. In particular, nuclear-spin astrochemistry has gained_x000d_\ninterest owing to nu…
View article: A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH
A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH Open
A quantitative theoretical study of the dissociative recombination of SH+ with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH+ and SH. T…
View article: Reactive collisions of electrons with H2+, HD+, BeH+, BeD+ and SH+
Reactive collisions of electrons with H2+, HD+, BeH+, BeD+ and SH+ Open
International audience
View article: Pressure dependent low temperature kinetics for CN + CH<sub>3</sub>CN: competition between chemical reaction and van der Waals complex formation
Pressure dependent low temperature kinetics for CN + CH<sub>3</sub>CN: competition between chemical reaction and van der Waals complex formation Open
The gas phase reaction between the CN radical and acetonitrile CH3CN was investigated experimentally with a CRESU apparatus and a slow flow reactor as well as theoretically to explore the temperature and pressure dependence of its rate coe…