Search

Theoretical and Computational Chemistry

Working Paper

Thermodynamic Exploration of Xenon/krypton Separation Based on a High-Throughput Screening

Emmanuel Ren, François-Xavier Coudert

Version 1 posted 09 March 2021

350

Downloads

Materials Science

Working Paper

Hybrid Inorganic-Organic Perovskite Glasses

Bikash Kumar Shaw, Ashlea R. Hughes, Maxime Ducamp, David A. Keen, François-Xavier Coudert, Frederic Blanc, Thomas Bennett

Version 1 posted 10 March 2020

1,436

Downloads

2

Citations

Catalysis

Working Paper

Diagnosing Surface Versus Bulk Reactivity for Molecular Catalysis Within Metal-Organic Frameworks Using a Quantitative Kinetic Model

Ben A Johnson, Sascha Ott

Version 1 posted 08 May 2020

387

Downloads

Theoretical and Computational Chemistry

Working Paper

Message Passing Neural Networks for Partial Charge Assignment to Metal-Organic Frameworks

Ali Raza, Arni Sturluson, Cory Simon, Xiaoli Fern

Version 1 posted 14 May 2020

854

Downloads

Inorganic Chemistry

Working Paper

Electrical Conductivity in a Porous, Cubic Rare-Earth Catecholate

Grigorii Skorupskii, Mircea Dinca

Version 1 posted 13 February 2020

980

Downloads

Materials Science

Working Paper

Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

Jonathan Carney, David Roundy, Cory M. Simon

Version 2 posted 28 September 2020

919

Downloads

Theoretical and Computational Chemistry

Working Paper

Material Informatics with PoreBlazer v4.0 and CSD MOF Database

Lev Sarkisov, Rocio Bueno-Perez, Mythili Sutharson, David Fairen-jimenez

Version 1 posted 07 September 2020

1,386

Downloads

2

Citations

Materials Chemistry

Working Paper

Disorder and Linker Deficiency in Porphyrinic Zr-MOFs: Resolving the Zr8O6 Cluster Conundrum in PCN-221

Charlotte Koschnick, Robert Stäglich, Tanja Scholz, Maxwell Terban, Alberto von Mankowski, Gökcen Savasci, Florian Binder, Alexander Schökel, Martin Etter, Jürgen Nuss, Renée Siegel, Luzia S. Germann, Christian Ochsenfeld, Robert E. Dinnebier, Jürgen Senker, Bettina Lotsch

Version 1 posted 07 September 2020

890

Downloads

Inorganic Chemistry

Working Paper

On the Completeness of Three-Dimensional Electron Diffraction Data for Structural Analysis of Metal-Organic Frameworks

Meng Ge, Taimin Yang, Yanzhi Wang, Francesco Carraro, Weibin Liang, Christian Doonan, paolo falcaro, Haoquan Zheng, Xiaodong Zou, Zhehao Huang

Version 1 posted 16 March 2021

280

Downloads

Earth, Space, and Environmental Chemistry

Working Paper

Proton Conductivity, Stability and Potential for Polymorphism in Metal-Organic Framework Minerals

Igor Huskić, Novendra Novendra, Dae-Woo Lim, Filip Topic, Hatem M. Titi, Igor Pekov, Sergey Krivovichev, Alexandra Navrotsky, Hiroshi Kitagawa, Tomislav Friscic

Version 1 posted 09 November 2018

602

Downloads

Refine Search

52 results in Metal-organic frameworks (MOFs) in Keywords: Metal-organic frameworks (MOFs)

Thermodynamic Exploration of Xenon/krypton Separation Based on a High-Throughput Screening

Hybrid Inorganic-Organic Perovskite Glasses

Diagnosing Surface Versus Bulk Reactivity for Molecular Catalysis Within Metal-Organic Frameworks Using a Quantitative Kinetic Model

Message Passing Neural Networks for Partial Charge Assignment to Metal-Organic Frameworks

Electrical Conductivity in a Porous, Cubic Rare-Earth Catecholate

Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

Material Informatics with PoreBlazer v4.0 and CSD MOF Database

Disorder and Linker Deficiency in Porphyrinic Zr-MOFs: Resolving the Zr8O6 Cluster Conundrum in PCN-221

On the Completeness of Three-Dimensional Electron Diffraction Data for Structural Analysis of Metal-Organic Frameworks

Proton Conductivity, Stability and Potential for Polymorphism in Metal-Organic Framework Minerals

52 results in Keywords: Metal-organic frameworks (MOFs)