Dual-Site Model for Ab Initio Calculations of Gibbs Free Energies and Enthalpies of Adsorption
Dual-Site Model for Ab Initio Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five ...
Selective adsorption of sulphur dioxide and hydrogen sulphide by metal–organic frameworks
Selective adsorption of sulphur dioxide and hydrogen sulphide by metal–organic frameworks Authors: Sonja Grubisic, Rahma Dahmani, Djordjevic Ivana, ...
MD simulations explain the excess molar enthalpies in pseudo-binary mixtures
MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water ...
1st General Meeting
1st General Meeting Universidad de Cádiz. 1-3 March 2023 We cordially invite members of the COST Action CA21101 ...
Meta-stability through intermolecular…
Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5–Cu5)n (n < 3) cases Authors: Berta ...
Aggregation and support effects in the oxidation…
Aggregation and support effects in the oxidation of fluxional atomic metal clusters. The paradigmatic Cu5 case. Authors: Jaime Garrido-Aldea ...
Enhancing Efficiency of Dye Sensitized Solar Cells by Coinage Metal Doping of Cyanidin-Silver Trimer Hybrids at TiO2 Support Based on Theoretical Study
Title: Enhancing Efficiency of Dye Sensitized Solar Cells by Coinage Metal Doping of ...
Design of J-aggregates-like oligomers built from squaraine dyes exhibiting transparency in the visible regime and high fluorescence quantum yield in the NIR region
Title: Design of J-aggregates-like oligomers built from squaraine dyes exhibiting transparency ...
Model systems for dye-sensitized solar cells: cyanidin-silver nanocluster hybrids at TiO2 support
Title: Model systems for dye-sensitized solar cells: cyanidin-silver nanocluster hybrids at ...
A subnanometric material reveals new quantum-chemical insights into surface polarons
Title: A subnanometric material reveals new quantum-chemical insights into surface polarons Authors: MP de Lara-Castells, S Miret-Artés DOI: https://doi.org/10.1051/epn/2022401 ...
