List of works - Daniele Ongari

Accurate Characterization of the Pore Volume in Microporous Crystalline Materials.

scientific article published on 21 June 2017

Applicability of Tail Corrections in the Molecular Simulations of Porous Materials

scientific article published on 06 September 2019

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning

scientific article published on 10 June 2020

Biporous Metal-Organic Framework with Tunable CO/CH Separation Performance Facilitated by Intrinsic Flexibility

scientific article published on 11 October 2018

Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent-Organic Frameworks

scientific article published on 26 September 2019

Can Metal-Organic Frameworks Be Used for Cannabis Breathalyzers?

scientific article published on 12 September 2019

Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal–Organic Frameworks

scientific article published on 17 February 2022

Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening

scientific article published on 15 December 2021

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

scientific article published on 3 February 2020

In silico discovery of covalent organic frameworks for carbon capture

scientific article published on 26 March 2020

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

scientific article

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

scientific article published on 26 February 2020

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

scientific article published on 27 June 2017

Photocatalytic Hydrogen Generation from a Visible-Light-Responsive Metal-Organic Framework System: Stability versus Activity of Molybdenum Sulfide Cocatalysts

scientific article published on 27 August 2018

Pyrene-based metal organic frameworks: from synthesis to applications

scientific article published in 2021

Thermoelasticity of Flexible Organic Crystals from Quasi-harmonic Lattice Dynamics: The Case of Copper(II) Acetylacetonate

scientific article published on 24 September 2020

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

scientific article published on 02 October 2020

Understanding the diversity of the metal-organic framework ecosystem

scientific article published on 13 August 2020

Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks

scientific article published on 5 July 2021

List of works by Daniele Ongari