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Mendizábal Emaldía, FernandoMiranda Rojas, SebastiánBarrientos Poblete, Lorena[A comparative study between post-Hartree–Fock methods and density functional theory in closed-shell aurophilic attraction]

Mera, RaúlMendizábal Emaldía, FernandoOlea Azar, ClaudioMiranda Rojas, SebastiánFuentealba Rosas, Patricio[A Computationally Efficient and Reliable Bond Order Measure]

Muñoz Castro, ÁlvaroGómez, TatianaMacLeod Carey, DesmondMiranda Rojas, SebastiánMendizábal Emaldía, FernandoZagal Moya, José H.Arratia Pérez, Ramiro[Surface on Surface. Survey of the Monolayer Gold−Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations]

Miranda Rojas, SebastiánSalazar Molina, RichardKaestner, JohannesArratia Pérez, RamiroMendizábal Emaldía, Fernando[Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials]

Cortés Arriagada, DiegoVillegas Escobar, NeryToro Labbé, AlejandroMiranda Rojas, Sebastián[Adsorption/Desorption process of Formaldehyde onto Iron Doped Graphene : a Theoretical Exploration from Density Functional Theory Calculations.]Adsorption/Desorption process of Formaldehyde onto Iron Doped Graphene : a Theoretical Exploration from Density Functional Theory Calculations.
Miranda Rojas, SebastiánSierra Rosales, PaulinaMuñoz Castro, AlvaroArratia Pérez, RamiroZagal Moya, José HeráclitoMendizábal, Fernando[Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role]Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role

Miranda Rojas, Sebastián[Estudio por modelación molecular de la interacción del dominio C-terminal de unión a fosfotirosina de FE65 (PTB2) con la región C-terminal de APP (AICD)]

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