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Lista de obras de Davide Tiana

A universal chemical potential for sulfur vapours† †Electronic supplementary information (ESI) available: Tabulated free energy and enthalpy data. Additional data and code available in external repositories with DOI: 10.5281/zenodo.28536; DOI: 10.60 ⬇️

artículo científico publicado en 2015

Adsorbate-induced lattice deformation in IRMOF-74 series.

artículo científico publicado en 2017

An "off-axis" Mn-Mn bond in Mn2(CO)10 at high pressure

article

An interacting quantum atoms analysis of the metal-metal bond in [M2(CO)8]n systems.

artículo científico publicado en 2015

Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective

artículo científico publicado en 2010

CO2 Adsorption in M-IRMOF-10 (M = Mg, Ca, Fe, Cu, Zn, Ge, Sr, Cd, Sn, Ba)

Compositional control of pore geometry in multivariate metal–organic frameworks: an experimental and computational study

article

Computational screening of structural and compositional factors for electrically conductive coordination polymers

article

Conductive metal-organic frameworks and networks: fact or fantasy?

artículo científico

Defect chemistry of Ti and Fe impurities and aggregates in Al2O3

Engineering the optical response of the titanium-MIL-125 metal-organic framework through ligand functionalization

artículo científico publicado en 2013

Experimental and theoretical charge density studies at subatomic resolution.

artículo científico publicado en 2011

First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3)

scientific article published on 01 March 2015

Formation pathways of metal–organic frameworks proceeding through partial dissolution of the metastable phase

Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66 ⬇️

artículo científico publicado en 2016

Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

artículo científico publicado en 2015

Ligand design for long-range magnetic order in metal-organic frameworks.

artículo científico publicado en 2014

Metal-Organic Frameworks Invert Molecular Reactivity: Lewis Acidic Phosphonium Zwitterions Catalyze the Aldol-Tishchenko Reaction.

artículo científico publicado en 2017

Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation

artículo científico publicado en 2020

Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations.

artículo científico publicado en 2016

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

artículo científico publicado en 2017

Rapid, Selective Heavy Metal Removal from Water by a Metal-Organic Framework/Polydopamine Composite.

artículo científico publicado en 2018

Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls

artículo científico publicado en 2011

Thermodynamic and electronic properties of tunable II–VI and IV–VI semiconductor based metal–organic frameworks from computational chemistry

Transferable Force Field for Metal-Organic Frameworks from First-Principles: BTW-FF.

artículo científico publicado en 2014

Tunable trimers: using temperature and pressure to control luminescent emission in gold(I) pyrazolate-based trimers

artículo científico publicado en 2014

Using Pseudopotentials within the Interacting Quantum Atoms Approach

artículo científico publicado en 2009

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