Search

CO and CO2 Adsorption Mechanism in Fe(pz)[Pt(CN)4] Probed by Neutron Scattering and Density-Functional Theory Calculations

Ángel Fernández-Blanco, Lucía Piñeiro-López, Mónica Jiménez-Ruiz, José Antonio Real, José Sanchez Costa, Roberta Poloni, Alberto Rodriguez Velamazan

Version 1 posted 02 December 2022

157

Downloads

Physical Chemistry

Working Paper

Hidden ordered structure in the archetypical Fe(pyrazine)[Pt(CN)4 ] spin-crossover porous coordination compound

Angel Fernandez Blanco, Lorenzo A. Mariano, Lucia Piñeiro-López, Jose Antonio Real, Jose Sanchez Costa, Roberta Poloni, Jose Alberto Rodríguez-Velamazán

Version 1 posted 06 May 2022

192

Downloads

Agriculture and Food Chemistry

Working Paper

Estradiol Determine Liver Lipid Deposition in Ratsfed Standard Diets Unbalanced with Excess Lipid or Protein

Laia Oliva, Marià Alemany, José-Antonio Fernández-López, Xavier Remesar

Version 1 posted 13 October 2020

332

Downloads

Organic Chemistry

Working Paper

Photoactivatable Metabolic Warheads Enable Precise and Safe Ablation of Target Cells in Vivo

Sam Benson, Fabio de Moliner, Antonio Fernandez, Erkin Kuru, Nicholas Asiimwe, Jun-Seok Lee, Lloyd Hamilton, Dirk Sieger, Isabel Ribeiro Bravo, Abigail Elliot, Yi Feng, Marc Vendrell

Version 1 posted 12 November 2020

520

Downloads

Energy

Working Paper

Fast, accurate and non-empirical determination of the lattice thermal conductivities of I-III-VI2 chalcopyrite semiconductors

Jose J. Plata, Victor Posligua, Antonio Marquez, Javier Fernández Sanz, Ricardo Grau-Crespo

Version 1 posted 17 September 2021

540

Downloads

Materials Science

Working Paper

Efficient Interlayer Exciton Transport in Two-Dimensional Metal-Halide Perovskites.

Alvaro J Magdaleno, Michael Seitz, Michel Frising, Ana Herranz de la Cruz, Antonio I. Fernández-Domínguez, Ferry Prins

Version 1 posted 12 October 2020

729

Downloads

Organic Chemistry

Working Paper

Can Deep Learning Search for Exceptional Chiroptical Properties? The Halogenated [6]Helicene Case

Rafael G. Uceda, Alfonso Gijón, Sandra Míguez-Lago, Carlos Moreno-Cruz, Víctor Blanco, Fátima Fernández-Álvarez, Luis Álvarez de Cienfuegos, Miguel Molina-Solana, Juan Gómez-Romero, Delia Miguel, Antonio J. Mota, Juan M. Cuerva

Version 1 posted 16 April 2024

368

Downloads

Theoretical and Computational Chemistry

Working Paper

Evaluating the generalizability of graph neural networks for predicting collision cross section

Chloe Engler Hart, António José Preto, Shaurya Chanana, David Healey, Tobias Kind, Daniel Domingo-Fernández

Version 1 posted 17 May 2024

223

Downloads

Theoretical and Computational Chemistry

Working Paper

Evaluating Cost and Accuracy in Two-Point Complete Basis Set Extrapolation Schemes Using Efficient Diffuse Basis Sets

Aiswarya M. Parameswaran, Antonio Fernández-Ramos, Donald G. Truhlar

Version 1 posted 08 October 2024

92

Downloads

Refine Search

9 results in Antonio Fernandez in Authors: Antonio Fernandez

CO and CO2 Adsorption Mechanism in Fe(pz)[Pt(CN)4] Probed by Neutron Scattering and Density-Functional Theory Calculations

Hidden ordered structure in the archetypical Fe(pyrazine)[Pt(CN)4 ] spin-crossover porous coordination compound

Estradiol Determine Liver Lipid Deposition in Ratsfed Standard Diets Unbalanced with Excess Lipid or Protein

Photoactivatable Metabolic Warheads Enable Precise and Safe Ablation of Target Cells in Vivo

Fast, accurate and non-empirical determination of the lattice thermal conductivities of I-III-VI2 chalcopyrite semiconductors

Efficient Interlayer Exciton Transport in Two-Dimensional Metal-Halide Perovskites.

Can Deep Learning Search for Exceptional Chiroptical Properties? The Halogenated [6]Helicene Case

Evaluating the generalizability of graph neural networks for predicting collision cross section

Evaluating Cost and Accuracy in Two-Point Complete Basis Set Extrapolation Schemes Using Efficient Diffuse Basis Sets

9 results in Authors: Antonio Fernandez