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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
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2013 September 9 |
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
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2016 June |
Aplicación de un nuevo método para la determinación teórica de estados de oxidación a partir de cálculos ab initio |
Delgado Alonso, Carlos
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Aplicación de un nuevo método para la determinación teórica de estados de oxidación a partir de cálculos ab initio |
Delgado Alonso, Carlos
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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
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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
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The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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2018 June 5 |
The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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2013 June |
The Atomic orbitals of the topological atom |
Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
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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
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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
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2010 February 5 |
Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine |
Asturiol Bofill, David
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Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine |
Asturiol Bofill, David
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Benchmark calculations of metal carbonyl cations: Relativistic vs. electron correlation effects |
Matito i Gras, Eduard
; Salvador Sedano, Pedro
; Styszyński, Jacek
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2013 |
Benchmark calculations of metal carbonyl cations: Relativistic vs. electron correlation effects |
Matito i Gras, Eduard
; Salvador Sedano, Pedro
; Styszyński, Jacek
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Bonding description of the Harpoon mechanism |
RodrÃguez Mayorga, Mauricio
; Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
; Solà i Puig, Miquel
; Matito i Gras, Eduard
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2020 February 15 |
Bonding description of the Harpoon mechanism |
RodrÃguez Mayorga, Mauricio
; Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
; Solà i Puig, Miquel
; Matito i Gras, Eduard
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2016 April 17 |
Bonding description of the Harpoon mechanism |
RodrÃguez Mayorga, Mauricio
; Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
; Solà i Puig, Miquel
; Matito i Gras, Eduard
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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
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2013 March 7 |
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
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2018 June |
Cà lcul acurat de constants d’acoblament spin-spin i aplicació a la determinació de l’estructura secundà ria de pèptids |
Comas Vilà , Gerard
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Characterization and quantification of polyradical character |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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Characterization and quantification of polyradical character |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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2014 |
Characterization and quantification of polyradical character |
Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
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