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Michael Fischer
Michael Fischer
DFG Heisenberg Fellow, University of Bremen
Verified email at uni-bremen.de - Homepage
Title
Cited by
Cited by
Year
New Microporous Materials for Acetylene Storage and C2H2/CO2 Separation: Insights from Molecular Simulations
M Fischer, F Hoffmann, M Fröba
ChemPhysChem 11 (10), 2220-2229, 2010
1032010
Modeling adsorption in metal–organic frameworks with open metal sites: propane/propylene separations
M Fischer, JRB Gomes, M Fröba, M Jorge
Langmuir 28 (22), 8537-8549, 2012
812012
Highly Porous Metal-Organic Framework Containing a Novel Organosilicon Linker− A Promising Material for Hydrogen Storage
SE Wenzel, M Fischer, F Hoffmann, M Fröba
Inorganic chemistry 48 (14), 6559-6565, 2009
762009
Computational approaches to study adsorption in MOFs with unsaturated metal sites
M Fischer, JRB Gomes, M Jorge
Molecular Simulation 40 (7-9), 537-556, 2014
722014
Preferred hydrogen adsorption sites in various MOFs—a comparative computational study
M Fischer, F Hoffmann, M Fröba
ChemPhysChem 10 (15), 2647-2657, 2009
682009
Accurate model for predicting adsorption of olefins and paraffins on MOFs with open metal sites
M Jorge, M Fischer, JRB Gomes, C Siquet, JC Santos, AE Rodrigues
Industrial & Engineering Chemistry Research 53 (40), 15475-15487, 2014
572014
Accurate prediction of hydrogen adsorption in metal− organic frameworks with unsaturated metal sites via a combined density-functional theory and molecular mechanics approach
M Fischer, B Kuchta, L Firlej, F Hoffmann, M Fröba
The Journal of Physical Chemistry C 114 (44), 19116-19126, 2010
552010
Influence of Zeolite Topology on CO2/N2 Separation Behavior: Force-Field Simulations Using a DFT-Derived Charge Model
M Fischer, RG Bell
The Journal of Physical Chemistry C 116 (50), 26449-26463, 2012
502012
Structure and stability of and explored by ab initio calculations
M Fischer, T Malcherek, U Bismayer, P Blaha, K Schwarz
Physical Review B 78 (1), 014108, 2008
492008
An interpenetrated metal–organic framework and its gas storage behavior: Simulation and experiment
D Frahm, M Fischer, F Hoffmann, M Fröba
Inorganic Chemistry 50 (21), 11055-11063, 2011
452011
Metal–organic frameworks and related materials for hydrogen purification: Interplay of pore size and pore wall polarity
M Fischer, F Hoffmann, M Fröba
RSC advances 2 (10), 4382-4396, 2012
432012
Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study
J Toda, M Fischer, M Jorge, JRB Gomes
Chemical Physics Letters 587, 7-13, 2013
412013
Structure and bonding of water molecules in zeolite hosts: Benchmarking plane-wave DFT against crystal structure data
M Fischer
Zeitschrift für Kristallographie-Crystalline Materials 230 (5), 325-336, 2015
402015
Interaction of hydrogen and carbon dioxide with sod-type zeolitic imidazolate frameworks: a periodic DFT-D study
M Fischer, RG Bell
CrystEngComm 16 (10), 1934-1949, 2014
392014
Benchmarking DFT-GGA calculations for the structure optimisation of neutral-framework zeotypes
M Fischer, FO Evers, F Formalik, A Olejniczak
Theoretical Chemistry Accounts 135 (12), 1-19, 2016
382016
A transferable model for adsorption in MOFs with unsaturated metal sites
C Campbell, CA Ferreiro-Rangel, M Fischer, JRB Gomes, M Jorge
The Journal of Physical Chemistry C 121 (1), 441-458, 2017
322017
New model for predicting adsorption of polar molecules in metal–organic frameworks with unsaturated metal sites
C Campbell, JRB Gomes, M Fischer, M Jorge
The Journal of Physical Chemistry Letters 9 (12), 3544-3553, 2018
312018
Accurate structures and energetics of neutral-framework zeotypes from dispersion-corrected DFT calculations
M Fischer, RJ Angel
The Journal of Chemical Physics 146 (17), 174111, 2017
312017
Molecular simulation of hydrogen adsorption in metal-organic frameworks
M Fischer, F Hoffmann, M Fröba
Colloids and Surfaces A: Physicochemical and Engineering Aspects 357 (1-3 …, 2010
292010
Interaction of water with (silico) aluminophosphate zeotypes: a comparative investigation using dispersion-corrected DFT
M Fischer
Physical Chemistry Chemical Physics 18 (23), 15738-15750, 2016
282016
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