Zobrazeno 1 - 10 of 12 pro vyhledávání: '"Marc Moix Teixidor"'
1
Quantum dynamics study of the X+O2 reactions on the CHIPR potential energy surface: X=Mu, H, D, T
Autor: Marc Moix Teixidor, António J. C. Varandas
Publikováno v: Chemical Physics Letters. 638:61-65
Time-independent quantum reactive scattering studies are performed for the X + O2 → OX + O reactions, where X = Mu, H, D and T are atomic hydrogen isotopes, using the accurate CHIPR potential energy surface (Varandas, 2013) and the popular ABC code
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9952ba5cf93917d890d7ff06f4b9d3dc
https://doi.org/10.1016/j.cplett.2015.08.028
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2
Methane dissociation on Ni(111): Reaction probabilities using direct and initial state selected approaches
Autor: Fermín Huarte-Larrañaga, Marc Moix Teixidor
Publikováno v: Chemical Physics. 399:264-271
We present two strategies for obtaining initial state selected reaction probabilities employing the multi-configurational time-dependent Hartree approach. The standard approach consists in building a wave function representative of the initial state
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::90e9f31b841380485029a0865c26ed17
https://doi.org/10.1016/j.chemphys.2011.08.016
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3
The intermolecular potential in NO-N2 and (NO-N2 ) + systems: implications for the neutralization of ionic molecular aggregates
Autor: Giulia de Petris, Marc Moix Teixidor, Massimiliano Bartolomei, Fernando Pirani, David Cappelletti, Marzio Rosi, Franco Vecchiocattivi
Publikováno v: PCCP. Physical chemistry chemical physics
info:cnr-pdr/source/autori:Bartolomei, M.; Cappelletti, D.; de Petris, G.; Teixidor, MM.; Pirani, F.; Rosi, M.; Vecchiocattivi, F./titolo:The intermolecular potential in NO-N-2 and (NO-N-2)(+) systems: implications for the neutralization of ionic molecular aggregates/doi:/rivista:PCCP. Physical chemistry chemical physics (Print)/anno:2008/pagina_da:5993/pagina_a:6001/intervallo_pagine:5993–6001/volume:10
The characterization of the non covalent interaction potential, responsible for the intermolecular bond in NO-N(2) and (NO-N(2))(+) molecular aggregates, has been achieved by coupling the predictions of a semiempirical method with the results of a sc
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e93906075b0c87c415396aadf857613b
http://hdl.handle.net/11391/161683
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4
Quantum dynamics study on the CHIPR potential energy surface for the hydroperoxyl radical: The reactions O + OH⇋O2 + H
Autor: António J. C. Varandas, Marc Moix Teixidor
Publikováno v: The Journal of Chemical Physics. 142:014309
Quantum scattering calculations of the O((3)P)+OH((2)Π)⇌O2((3)Σg (-))+H((2)S) reactions are presented using the combined-hyperbolic-inverse-power-representation potential energy surface [A. J. C. Varandas, J. Chem. Phys. 138, 134117 (2013)], whic
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83f3924d55ac678c49572968d6cb3f87
https://doi.org/10.1063/1.4905292
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6
Threshold-photoelectron-spectroscopy-coincidence study of the double photoionization of HBr
Autor: Marc Moix Teixidor, Robert Richter, Franco Vecchiocattivi, Stefano Falcinelli, Michele Alagia, Fernando Pirani, Stefano Stranges, Pietro Candori, Brunetto Giovanni Brunetti
Publikováno v: The Journal of chemical physics 120 (2004): 6980–6984. doi:10.1063/1.1669382
info:cnr-pdr/source/autori:Alagia, Michele (1-4); Pirani, Fernando (6); Vecchiocattivi, Franco (5); Stranges, Stefano (4); Richter, Robert (2); Brunetti, Brunetto G. (3); Candori, Pietro (6); Falcinelli, Stefano (6); Teixidor, Marc Moix (4)/titolo:Threshold-photoelectron-spectroscopy-coincidence study of the double photoionization of HBr/doi:10.1063%2F1.1669382/rivista:The Journal of chemical physics/anno:2004/pagina_da:6980/pagina_a:6984/intervallo_pagine:6980–6984/volume:120
A threshold-photoelectron-coincidence spectrum of HBr has been recorded in the 32.2-35.8 eV photon energy range, with a resolution of approximately 0.01 eV, using a synchrotron radiation source. The X (3)Sigma(-) and a (1)Delta(2) states of the HBr(2
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50e6678ea317ea20609be6122b302fd3
http://hdl.handle.net/11573/49822
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7
Low-lying electronic states of HBr2+
Autor: Robert Richter, Fernando Pirani, Pietro Candori, Brunetto Giovanni Brunetti, Stefano Stranges, Franco Vecchiocattivi, Marc Moix Teixidor, Stefano Falcinelli, Michele Alagia
Publikováno v: The Journal of chemical physics 120 (2004): 6985–6991. doi:10.1063/1.1669383
info:cnr-pdr/source/autori:Alagia, Michele (1-4); Pirani, Fernando (5); Vecchiocattivi, Franco (6); Stranges, Stefano (4); Richter, Robert (2); Brunetti, Brunetto G. (3); Candori, Pietro (6); Falcinelli, Stefano (6); Teixidor, Marc Moix (4)/titolo:Low-lying electronic states of HBr2+/doi:10.1063%2F1.1669383/rivista:The Journal of chemical physics/anno:2004/pagina_da:6985/pagina_a:6991/intervallo_pagine:6985–6991/volume:120
The present study describes the characterization of energy and structure of HBr2+ in its low-lying electronic states, achieved through an extension of a new empirical method [Chem. Phys. Lett. 379, 139 (2003)] recently introduced to evaluate the inte
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6eedb97a2b4eea11d3f6839349815f4
http://hdl.handle.net/11573/49823
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8
Molecular-beam study of the water-helium system: Features of the isotropic component of the intermolecular interaction and a critical test for the available potential-energy surfaces
Autor: Marc Moix Teixidor, E. Cornicchi, Vincenzo Aquilanti, David Cappelletti, Fernando Pirani
Publikováno v: The Journal of Chemical Physics. 123:024302
We report molecular-beam measurements of the total integral cross sections for the scattering of water molecules by helium atoms. A combined analysis of the new experimental data together with available differential cross section results has allowed
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f48047e94cb65f36ace349d37440d90b
https://doi.org/10.1063/1.1988307
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9
Penning ionization of N2O molecules by He*(2S3,1) and Ne*(P2,03) metastable atoms: A crossed beam study
Autor: Franco Vecchiocattivi, Filippo De Angelis, Fernando Pirani, Stefano Falcinelli, Brunetto Giovanni Brunetti, Francesco Biondini, Pietro Candori, Marc Moix Teixidor, Francesco Tarantelli
Publikováno v: The Journal of Chemical Physics. 122:164307
The energetics of [Rg⋯N2O]* autoionizing collision complexes (where Rg=He or Ne) and their dynamical evolution have been studied in a crossed beam apparatus, respectively, by Penning ionization electron spectroscopy (PIES) and by mass spectrometry
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fb30b74091e54c84f6c748e4406b75c4
https://doi.org/10.1063/1.1884604
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