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Issue Date
Title
Author(s)
11-Mar-2022
Nanostructuring determines poisoning: Tailoring CO adsorption on PtCu bimetallic nanoparticles.
Vega Dominguez, Lorena; García Cardona, Julia; Viñes Solana, Francesc; Cabot Julià, Pere-Lluís; Neyman, Konstantin M.
16-Jul-2022
Molecular dynamics simulations of an alfa-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest beta-sheet intermediate states of fibrillation
Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime
19-Jan-2022
Low-Valent Titanium Species Stabilized with Aluminum/Boron Hydride Fragments
Del Horno, Estefanía; Jover Modrego, Jesús; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
18-Jun-2022
Effect of nanostructuring on the interaction of CO2 with molybdenum carbide nanoparticles
Jiménez-Orozco, Carlos; Figueras, Marc; Flórez, Elizabeth; Viñes Solana, Francesc; Rodriguez, José A.; Illas i Riera, Francesc
10-Jun-2022
Adsorption of flexible proteins in the 'wrong side' of the isoelectric point: Casein macropeptide as a model system
Blanco Andrés, Pablo M.; Achetoni, Micaela M.; Garcés, Josep Lluís; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Baieli, María F.; Narambuena, Claudio F. F.
2022
Quantifying interactions on interfaces between metal partic¬les and oxide supports in catalytic nanomaterials
Neyman, Konstantin M.; Kozlov, Sergey
15-Mar-2022
Effect of oxygen termination on the interaction of first row transition metals with M2C MXenes and the feasibility of single-atom catalysts
Keyhanian, Masoomeh; Farmanzadeh, David; Morales García, Ángel; Illas i Riera, Francesc
16-Nov-2022
Playing catch and release with single molecules: mechanistic insights into plasmon-controlled nanogaps
Domke, Katrin F.; Aragonès, Albert C.
14-Sep-2022
The template effect of a SiF62- guest drives the formation of a heteroleptic Fe(II) coordination helicate
Capó, Nuria; Barrios Moreno, Leoní Alejandra; Cardona, Joan; Ribas Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí Bedmar, Guillem
6-Oct-2022
Cluster Beam Study of (MgSiO3)+-Based Monomeric Silicate Species and Their Interaction with Oxygen: Implications for Interstellar Astrochemistry
Mariñoso Guiu, Joan; Ghejan, Bianca Andreea; Bernhardt, Thorsten M.; Bakker, Joost M.; Lang, Sandra M.; Bromley, Stefan Thomas
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Author
5
Illas i Riera, Francesc
5
Morales García, Ángel
4
Viñes Solana, Francesc
3
Bromley, Stefan Thomas
3
Neyman, Konstantin M.
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Subject
10
Density functionals
10
Teoria del funcional de densitat
4
Nanoparticles
4
Nanopartícules
3
Ciència dels materials
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