Publications related to Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal-Organic Frameworks

Related publications (6)

Synthetic Tunability of Colloidal Covalent Organic Framework/Nanocrystal Hybrids

Raffaella Buonsanti, Jan Vávra, Vikram Vinayak Karve, Chethana Janardhana Gadiyar, Ona Segura Lecina, Seyedehbehnaz Varandili, Yannick Thomas Guntern

The combination of porous reticular frameworks and nanocrystals (NCs) offers a rich playground to design materials with functionalities, which are beneficial for a large variety of applications. Achieving compositional and structural tunability of these hy ...

2021

Universal Strategy of Bimetal Heterostructures as Superior Bifunctional Catalysts for Electrochemical Water Splitting

Yun Tong, Pengzuo Chen

Utilizing earth-abundant metals to design economical and efficient electrocatalysts for cathodic hydrogen evolution reaction (HER) and anodic oxygen evolution reaction (OER) is critical for acquiring clean hydrogen energy by the electrochemical overall wat ...

AMER CHEMICAL SOC2021

Crystal Structural Investigations for Understanding the Hydrogen Storage Properties of YMgNi4-Based Alloys

Andreas Züttel, Loris Giovanni Lombardo, Heena Yang

The hydrogen storage properties and crystal structures of YMgNi4-based alloys, which were synthesized from (2 - x)YNi2 and xMgNi(2) (0.6

2020

Hard-sphere displacive model of extension twinning in magnesium

Cyril Cayron

A crystallographic displacive model is proposed for the extension twins in magnesium. The atomic displacements are established, and the homogeneous lattice distortion is analytically expressed as a continuous angular-distortive matrix that becomes a shear ...

Elsevier Sci Ltd2017

Fighting Cancer with Transition Metal Complexes: From Naked DNA to Protein and Chromatin Targeting Strategies

Paul Joseph Dyson, Ursula Röthlisberger, Tina Riedel, Giulia Palermo, Thibaud Edouard Alistair von Erlach

Many transition metal complexes have unique physicochemical properties that can be efficiently exploited in medicinal chemistry for cancer treatment. Traditionally, double-stranded DNA has been assumed to be the main binding target; however, recent studies ...

2016

Molecular Effects of Concentrated Solutes on Protein Hydration, Dynamics, and Electrostatics

Matteo Dal Peraro, Luciano Andres Abriata, Enrico Spiga

Most studies of protein structure and function are performed in dilute conditions, but proteins typically experience high solute concentrations in their physiological scenarios and biotechnological applications. High solute concentrations have well-known e ...

Cell Press2016