Zobrazeno 1 - 10
of 176
pro vyhledávání: '"Simon, Aude"'
Publikováno v:
In Computational and Theoretical Chemistry September 2024 1239
Autor:
Pla, Paula, Dubosq, Clément, Rapacioli, Mathias, Posenitskiy, Evgeny, Alcami, Manuel, Simon, Aude
This work aims at exploring the potential energy surfaces of C$_{24}$H$_n${n=0,6,12,18,24} up to 20-25\,eV using the genetic algorithm in combination with the density functional based tight binding (DFTB) potential. The structural diversity of the no
Externí odkaz:
http://arxiv.org/abs/2103.11915
Autor:
Bérard, Rémi, Makasheva, Kremena, Demyk, Karine, Simon, Aude, Reyes, Dianailys Nuñez, Mastrorocco, Fabrizio, Sabbah, Hassan, Joblin, Christine
Publikováno v:
Front. Astron. Space Sci., 2021, Volume 8, Article 654879
Laboratory experiments are essential in exploring the mechanisms involved in stardust formation. One key question is how a metal is incorporated into dust for an environment rich in elements involved in stardust formation (C, H, O, Si). To address ex
Externí odkaz:
http://arxiv.org/abs/2103.06832
This work is dedicated to the theoretical investigation of the influence of water clusters' organisation and size on the electronic spectrum of an interacting benzene (Bz) molecule using both TD-DFT and CASPT2 approaches. Two series of geometries, na
Externí odkaz:
http://arxiv.org/abs/2012.06612
Autor:
Joblin, Christine, Wenzel, Gabi, Castillo, Sarah Rodriguez, Simon, Aude, Sabbah, Hassan, Bonnamy, Anthony, Toublanc, Dominique, Mulas, Giacomo, Ji, Mingchao, Giuliani, Alexandre, Nahon, Laurent
Publikováno v:
Journal of Physics: Conference Series, IOP Publishing, In press
Polycyclic aromatic hydrocarbons (PAHs) are key species in astrophysical environments in which vacuum ultraviolet (VUV) photons are present, such as star-forming regions. The interaction with these VUV photons governs the physical and chemical evolut
Externí odkaz:
http://arxiv.org/abs/1912.03137
Publikováno v:
ChemPhysChem, Wiley-VCH Verlag, 2018
Disentangling the isomeric structure of C7H7+ is a longstanding experimental issue. We report here the full mid-infrared vibrational spectrum of C7H7+ tagged with Ne obtained with infrared-predissociation spectroscopy at 10 K. Saturation depletion me
Externí odkaz:
http://arxiv.org/abs/1809.09375
Autor:
Jusko, Pavol, Simon, Aude, Wenzel, Gabi, Brünken, Sandra, Schlemmer, Stephan, Joblin, Christine
The fragment of the 1-methylpyrene cation, C17H11+, is expected to exist in two isomeric forms, 1-pyrenemethylium PyrCH2+ and the tropylium containing species PyrC7+ . We measured the infrared (IR) action spectrum of cold C17H11+ tagged with Ne using
Externí odkaz:
http://arxiv.org/abs/1801.08844
We present a detailed study of the main dehydrogenation processes of two dibenzopyrene cation (C24H14+) isomers, namely dibenzo(a,e)pyrene (AE+) and dibenzo(a,l)pyrene (AL+). First, action spectroscopy under VUV photons was performed using synchrotro
Externí odkaz:
http://arxiv.org/abs/1711.03046
Autor:
Wenzel, Gabi, Simon, Aude, Banhatti, Shreyak, Jusko, Pavol, Schlemmer, Stephan, Brünken, Sandra, Joblin, Christine
Publikováno v:
In Journal of Molecular Spectroscopy March 2022 385
Publikováno v:
Molecular Astrophysics, 7, 27, 2017
The PAH family of organic compounds (polycyclic aromatic hydrocarbons), involved in several fields of chemistry, has received particular attention in astrochemistry, where their vibrational spectroscopy, thermodynamic, dynamic, and fragmentation prop
Externí odkaz:
http://arxiv.org/abs/1702.04186