Zobrazeno 1 - 10
of 111
pro vyhledávání: '"Nejm-Eddine Jaidane"'
Autor:
Victorien Hermann Haiwang Djefoulna, Daouda Abia, Jean Jules Fifen, Mama Nsangou, Nejm-Eddine Jaidane
Publikováno v:
Molecular Physics. 120
We investigated classical and quantum rotational partition functions, rotational energies and rotational entropies for asymmetric-top molecules in a canonical system within a wide range of temperatures under the rigid rotor approximation. We then der
Publikováno v:
Journal of Applied Spectroscopy. 87:758-763
The purpose of this work is to report an analytical procedure to prove the validity of the hypothesis of the representativeness of the mass vaporized in the plasma plume of the studied sample. To achieve that, we used the laser-induced breakdown spec
Publikováno v:
Physical Chemistry Chemical Physics. 21:11705-11713
The hydronium ion, H3O+, presents a crucial key to understanding the chemistry of the interstellar clouds where it has been frequently observed. The present paper is devoted to studying the inelastic scattering of both forms of the hydronium ion, o-H
Publikováno v:
Physical Chemistry Chemical Physics. 21:15871-15878
The four-dimensional-potential energy surface (4D-PES) of the CO2-CO van der Waals complex is generated using the explicitly correlated coupled cluster with single, double, and perturbative triple excitation (CCSD(T)-F12) method in conjunction with t
Autor:
Majdi Hochlaf, D. Ben Abdallah, Nejm-Eddine Jaidane, H. Hendaoui, Roberto Linguerri, M. Mogren Al Mogren, S. Almenia, A. Elmarghany
Publikováno v:
Chemical Physics. 517:113-118
Using ab initio configuration interaction methodologies, we compute the potentials of the doubly and triply charged vanadium nitride. By performing benchmark calculations, we show that the 4s and 3d AOs are enough for the accurate description of VN m
Publikováno v:
The journal of physical chemistry. A. 124(43)
We use accurate ab initio methodologies at the Coupled Cluster level to compute the stable forms of AlxOyq+ (x = 1, 2; y = 1, 2; q = 0-3) species for which we derive an accurate set of geometrical and vibrational spectroscopic data. We also determine
Publikováno v:
Theoretical Chemistry Accounts. 139
We investigated classical and quantum rotational partition functions, rotational energies and rotational entropies for linear-, spherical- and symmetric-top molecules in a canonical system within a wide range of temperatures under the rigid rotor app
Publikováno v:
Monthly Notices of the Royal Astronomical Society
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2020, 497 (2), pp.1862-1869. ⟨10.1093/mnras/staa2058⟩
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2020, 497 (2), pp.1862-1869. ⟨10.1093/mnras/staa2058⟩
The relative abundance of cyanide and isocyanide molecules is a sensitive tracer of the physical conditions in the interstellar and circumstellar media. Accurate modelling of collisional and radiative processes implying these species opens the way fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4faa8e025104a3c0abec8cdb48d6852d
https://hal.archives-ouvertes.fr/hal-03044746
https://hal.archives-ouvertes.fr/hal-03044746
Publikováno v:
Monthly Notices of the Royal Astronomical Society
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2020, 499 (2), pp.1578-1586. ⟨10.1093/mnras/staa2611⟩
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2020, 499 (2), pp 1578-1586. ⟨10.1093/mnras/staa2611⟩
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2020, 499 (2), pp.1578-1586. ⟨10.1093/mnras/staa2611⟩
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2020, 499 (2), pp 1578-1586. ⟨10.1093/mnras/staa2611⟩
Several phosphorus-bearing molecules, such as the phosphine of interest here, have been detected in astrophysical media. With the aim of satisfying the precision required by the astrophysical community, we report the rate coefficients of PH3 in colli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e9a8b328431ed1defb1b4f2ff1c86cc
https://hal.archives-ouvertes.fr/hal-03078779
https://hal.archives-ouvertes.fr/hal-03078779
Publikováno v:
Chemical Physics Letters. 696:70-78
We performed benchmark studies on the molecular geometry, electron properties and vibrational analysis of imidazole using semi-empirical, density functional theory and post Hartree-Fock methods. These studies validated the use of AM1 for the treatmen