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Browsing by Author Zanchet, Alexandre

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openAccessA comparative.pdf.jpg16-Apr-2015A comparative study of the Au + H2, Au+ + H2, and Au− + H2 systems: Potential energy surfaces and dynamics of reactive collisionsDorta-Urra, A. CSIC; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCIDartículo
closedAccess17-Jan-2017Ab initio study of the photodissociation of radical molecules of astrochemical interestBouallagui, A.; Zanchet, Alexandre CSIC ORCID; Jaidane, N.; Yazidi, O.; Senent, María Luisa CSIC ORCID ; Bañares, Luis; García Vela, Alberto CSIC ORCIDcomunicación de congreso
openAccess11-Sep-2016Ab initio study on the photodissociation of CH3O and CH3S radicals : The effect of spin-orbit couplingBouallagui, A.; Zanchet, Alexandre CSIC ORCID; Jaidane, N.; Yazidi, O.; Senent, María Luisa CSIC ORCID ; Bañares, Luis; García Vela, Alberto CSIC ORCIDpóster de congreso
openAccessaccesoRestringido.pdf.jpg15-Nov-2016An ab initio study of the ground and excited electronic states of the methyl radicalZanchet, Alexandre CSIC ORCID; Bañares, L.; Senent, María Luisa CSIC ORCID ; García Vela, Alberto CSIC ORCIDartículo
openAccessAn accurate study.pdf.jpg26-Apr-2012An accurate study of the dynamics of the C+OH reaction on the second excited 1^4 A'' potential energy surfaceZanchet, Alexandre CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Jorfi, Mohamed; Honvault, Pascal; Hankel, M.artículo
openAccessDorta.pdf.jpg2011Communication: Theoretical exploration of AuH2, D2, and HD reactive collisionsDorta-Urra, A. CSIC; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Armentrout, P.B.artículo
openAccessCiencias Planetarias0001.pdf.jpg2013Constantes ópticas de hielos de NH3 y NH3:N2 en IR medio y próximoMaté, Belén CSIC ORCID; Zanchet, Alexandre CSIC ORCID; Rodríguez Lazcano, Yamilet; Gálvez, Óscar CSIC ORCID; Moreno, Miguel Ángel CSIC; Escribano, Rafael CSIC ORCID; Herrero, Víctor J. CSIC ORCIDcomunicación de congreso
openAccessJCP131-09.pdf.jpgDec-2009A density-division embedding potential inversion techniqueRoncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Villarreal, Pablo CSIC ORCID; Aguado, Alfredo CSIC ORCIDartículo
closedAccessAug-2009Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ D2 and Li + HF examplesZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; González-Lezana, Tomás CSIC ORCID ; Rodríguez-López, A.; Aguado, Alfredo CSIC ORCID; Sanz, Cristina; Gómez Carrasco, Susana CSIC ORCID CVNartículo
openAccessDpgC-catalyzed.pdf.jpg25-Sep-2020DpgC-Catalyzed Peroxidation of 3,5-Dihydroxyphenylacetyl-CoA(DPA-CoA): Insights into the Spin-Forbidden Transition and Charge Transfer Mechanisms**Ortega, P.; Zanchet, Alexandre CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Gómez Carrasco, Susana CSIC ORCID CVN; González-Sánchez, Lola; Jambrina, P. G.artículo
openAccess2012Dynamically biased statistical model for the ortho/para conversion in the H 2+H 3 + → H 3 + + H 2 reactionGómez Carrasco, Susana CSIC ORCID CVN; González-Sánchez, Lola; Aguado, Alfredo CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
openAccessZanchet0001.pdf.jpg11-Apr-2016Effect of the highly excited robibrational levels on the endothermic reaction between of S+ and H2.Zanchet, Alexandre CSIC ORCIDcomunicación de congreso
openAccessEffect0001.pdf.jpg27-Jun-2016Effect of the highly excited rovibrational levels on the endothermic reaction between of S+ and H2Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Bulut, N.póster de congreso
openAccessElectron.pdf.jpg8-Jul-2014Electron transport signature of H2 dissociation on atomic gold wiresZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Dorta-Urra, A. CSIC; Aguado, Alfredo CSIC ORCID; Martínez, José I. CSIC ORCID ; Flores, Fernando; Lorente, Nicolás CSIC ORCID CVNartículo
closedAccessaccesoRestringido.pdf.jpg2016Femtosecond predissociation dynamics of the methyl radical from the 3pz Rydberg stateBalerdi, G.; Woodhouse, J.; Zanchet, Alexandre CSIC ORCID; de Nalda, R. CSIC ORCID; Senent, María Luisa CSIC ORCID ; García Vela, Alberto CSIC ORCID; Bañares, L.artículo
openAccessFormation and Destruction.pdf.jpg20-Jul-2018Formation and Destruction of SiS in SpaceZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCIDartículo
openAccessFormation of interstellar.pdf.jpg20-Jun-2019Formation of interstellar SH+ from vibrationally excited H2: Quantum study of S+ + H2 ⇄ SH+ + H reaction and inelastic collisionZanchet, Alexandre CSIC ORCID; Lique, François; Roncero, Octavio CSIC ORCID ; Goicoechea, Javier R. CSIC ORCID; Bulut, Niyaziartículo
openAccessFull dimensional.pdf.jpg8-Sep-2017Full dimensional potential energy surface and low temperature dynamics of the H2CO + OH → HCO + H2O reactionZanchet, Alexandre CSIC ORCID; Mazo, Pablo del; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Jiménez, Elena; Canosa, André; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg9-Jun-2012H2 dissociation on gold objects: atoms, clusters and nano-wiresRoncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCIDcomunicación de congreso
openAccessZanchet_2013_ApJ_766_80.pdf.jpg11-Mar-2013H2(v = 0,1) + C+(2 P) → H+CH + state-to-state rate constants for chemical pumping models in astrophysical mediaZanchet, Alexandre CSIC ORCID; Godard, B.; Bulut, Niyazi; Roncero, Octavio CSIC ORCID ; Halvick, P.; Cernicharo, José CSIC ORCIDartículo