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List of works by Juan A. Santana

A combined experimental and theoretical study of gas sorption on nanoporous silver triazolato metal–organic frameworks

A density-functional theory study of electrochemical adsorption of sulfuric acid anions on Pt(111)

scientific article published on 28 June 2010

Adsorption and diffusion of sulfur on the (111), (100), (110), and (211) surfaces of FCC metals: Density functional theory calculations

scientific article published on 01 November 2018

Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo.

scientific article

Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene

scientific article published on 01 June 2018

Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3.

scientific article

Electron Confinement and Magnetism of (LaTiO3)1/(SrTiO3)5 Heterostructure: A Diffusion Quantum Monte Carlo Study

scientific article published on 27 December 2019

Hydrogen adsorption on and spillover from Au- and Cu-supported Pt3 and Pd3 clusters: a density functional study ⬇️

scientific article published on December 14, 2012

Linear correlation models for the redox potential of organic molecules in aqueous solutions

scientific article published on 07 March 2020

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

scientific article published on 01 October 2015

Quantum Many-Body Effects in Defective Transition-Metal-Oxide Superlattices

scientific article published on 21 September 2017

RELATIVISTIC MR-MP ENERGY LEVELS FOR L-SHELL IONS OF SULFUR AND ARGON

scientific article published on 23 October 2018

Relativistic MR-MP energy levels for L-shell ions of silicon

scientific article published in January 2018

Selective CO2 Adsorption on Metal-Organic Frameworks Based on Trinuclear Cu3-Pyrazolato Complexes: An Experimental and Computational Study

article

Strain and Low-Coordination Effects on Monolayer Nanoislands of Pd and Pt on Au(111): A Comparative Analysis Based on Density Functional Results

scientific article published on 27 May 2020

Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo

scientific article published on 01 April 2015

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