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The Journal of Chemical Physics|August 17, 2018
Benchmarking of GGA density functionals for modeling structures of nanoporous, rigid and flexible MOFsFilip Formalik, Michael Fischer, Justyna Rogacka, et al.Journal of Molecular Modeling|June 19, 2012
Computational investigation of the adsorption of carbon dioxide onto zirconium oxide clustersPascal Boulet, Christina Knöfel, Bogdan Kuchta, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 26, 2025
Small Rotations, Big Effects: Lessons from Water Adsorption in NU-1000Filip Formalik, Bartosz Mazur, Faramarz Joodaki, et al.Journal of Colloid and Interface Science|June 9, 2020
Pore opening and breathing transitions in metal-organic frameworks: Coupling adsorption and deformationFilip Formalik, Alexander V Neimark, Justyna Rogacka, et al.Angewandte Chemie (International Ed. in English)|November 2, 2017
Adsorption-Induced Structural Phase Transformation in NanoporesBogdan Kuchta, Ege Dundar, Filip Formalik, et al.Journal of Molecular Modeling|December 11, 2012
Open carbon frameworks - a search for optimal geometry for hydrogen storageBogdan Kuchta, Lucyna Firlej, Ali Mohammadhosseini, et al.The Journal of Physical Chemistry. A|July 10, 2014
Unique bonding nature of carbon-substituted Be2 dimer inside the carbon (sp(2)) networkRafal Roszak, Szczepan Roszak, D Majumdar, et al.Langmuir : the ACS Journal of Surfaces and Colloids|August 29, 2009
Molecular simulations of water and paracresol in MFI zeolite--a Monte Carlo studyL Narasimhan, Pascal Boulet, Bogdan Kuchta, et al.Physical Chemistry Chemical Physics : PCCP|January 29, 2019
Intermediate states approach for adsorption studies in flexible metal-organic frameworksJustyna Rogacka, Filip Formalik, Azahara L Triguero, et al.Journal of Molecular Modeling|March 4, 2017
Modeling of adsorption of CO2 in the deformed pores of MIL-53(Al)Ege Dundar, Nicolas Chanut, Filip Formalik, et al.Pageof 4