Listing items by Author "Salvador Sedano, Pedro"

115 items found

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out url icon Recercat Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO) El Hamdi Lahfid, Majid ; El Bakouri, Ouissam ; Salvador Sedano, Pedro ; Abdelouahid, Ben Ali ; El Begrani, Mohamed Soussi ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel
doc icon DUGiDocs Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO) El Hamdi Lahfid, Majid ; El Bakouri, Ouissam ; Salvador Sedano, Pedro ; Abdelouahid, Ben Ali ; El Begrani, Mohamed Soussi ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel
doc icon DUGiDocs 2016 June Aplicación de un nuevo método para la determinación teórica de estados de oxidación a partir de cálculos ab initio Delgado Alonso, Carlos
out url icon Recercat Aplicación de un nuevo método para la determinación teórica de estados de oxidación a partir de cálculos ab initio Delgado Alonso, Carlos
doc icon DUGiDocs 2006 Aromaticity measures from Fuzzy-atom Bond Orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Solà i Puig, Miquel
out url icon Recercat Aromaticity measures from Fuzzy-atom Bond Orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Solà i Puig, Miquel
out url icon Recercat The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
out url icon Recercat The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
out url icon Recercat 2018 June 5 The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 2013 June The Atomic orbitals of the topological atom Ramos Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 1999 Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
out url icon Recercat Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
doc icon TDX 2010 February 5 Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine Asturiol Bofill, David
out url icon Recercat Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine Asturiol Bofill, David
out url icon Recercat Benchmark calculations of metal carbonyl cations: Relativistic vs. electron correlation effects Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Styszyński, Jacek
doc icon DUGiDocs Benchmark calculations of metal carbonyl cations: Relativistic vs. electron correlation effects Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Styszyński, Jacek
out url icon Recercat Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
out url icon Recercat 2020 February 15 Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
doc icon DUGiDocs 2016 April 17 Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
out url icon Recercat Bonding quandary in the [Cu3S2]3+ core: Insights from the analysis of domain averaged fermi holes and the local spin Ponec, Robert ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs Bonding quandary in the [Cu3S2]3+ core: Insights from the analysis of domain averaged fermi holes and the local spin Ponec, Robert ; Ramos Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 2018 June Càlcul acurat de constants d’acoblament spin-spin i aplicació a la determinació de l’estructura secundària de pèptids Comas Vilà, Gerard
out url icon Recercat Characterization and quantification of polyradical character Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
out url icon Recercat Characterization and quantification of polyradical character Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs Characterization and quantification of polyradical character Ramos Cordoba, Eloy ; Salvador Sedano, Pedro
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