Fischer M - Search Results

1

Benchmarking the performance of approximate van der Waals methods for the structural and energetic properties of SiO₂ and AlPO₄ frameworks.

Fischer M, Kim WJ, Badawi M, Lebègue S. Fischer M, et al. J Chem Phys. 2019 Mar 7;150(9):094102. doi: 10.1063/1.5085394. J Chem Phys. 2019. PMID: 30849891

2

Interaction of water with (silico)aluminophosphate zeotypes: a comparative investigation using dispersion-corrected DFT.

Fischer M. Fischer M. Phys Chem Chem Phys. 2016 Jun 21;18(23):15738-50. doi: 10.1039/c6cp02289h. Epub 2016 May 26. Phys Chem Chem Phys. 2016. PMID: 27225530

3

Accurate structures and energetics of neutral-framework zeotypes from dispersion-corrected DFT calculations.

Fischer M, Angel RJ. Fischer M, et al. J Chem Phys. 2017 May 7;146(17):174111. doi: 10.1063/1.4981528. J Chem Phys. 2017. PMID: 28477591

4

Computational evaluation of aluminophosphate zeotypes for CO₂/N₂ separation.

Fischer M. Fischer M. Phys Chem Chem Phys. 2017 Aug 30;19(34):22801-22812. doi: 10.1039/c7cp03841k. Phys Chem Chem Phys. 2017. PMID: 28812079

5

Benchmarking of GGA density functionals for modeling structures of nanoporous, rigid and flexible MOFs.

Formalik F, Fischer M, Rogacka J, Firlej L, Kuchta B. Formalik F, et al. Among authors: fischer m. J Chem Phys. 2018 Aug 14;149(6):064110. doi: 10.1063/1.5030493. J Chem Phys. 2018. PMID: 30111142

6

Local Distortions in a Prototypical Zeolite Framework Containing Double Four-Ring Cages: The Role of Framework Composition and Organic Guests*.

Fischer M, Freymann L. Fischer M, et al. Chemphyschem. 2021 Jan 7;22(1):40-54. doi: 10.1002/cphc.202000863. Epub 2020 Nov 27. Chemphyschem. 2021. PMID: 33185963 Free PMC article.

7

Revisiting the Structure of Calcined and Hydrated AlPO-11 with DFT-Based Molecular Dynamics Simulations*.

Fischer M. Fischer M. Chemphyschem. 2021 Oct 14;22(20):2063-2077. doi: 10.1002/cphc.202100486. Epub 2021 Aug 21. Chemphyschem. 2021. PMID: 34314095 Free PMC article.

8

Adsorption of Carbamazepine in All-Silica Zeolites Studied with Density Functional Theory Calculations.

Fischer M. Fischer M. Chemphyschem. 2023 May 2;24(9):e202300022. doi: 10.1002/cphc.202300022. Epub 2023 Feb 9. Chemphyschem. 2023. PMID: 36715697

9

Water adsorption in SAPO-34: elucidating the role of local heterogeneities and defects using dispersion-corrected DFT calculations.

Fischer M. Fischer M. Phys Chem Chem Phys. 2015 Oct 14;17(38):25260-71. doi: 10.1039/c5cp04189a. Phys Chem Chem Phys. 2015. PMID: 26352329

10

Thermal behaviors during lithium diffusion in Li_0.4WO₃ bronze studied by elastic and quasi-elastic neutron scattering.

Murshed MM, Fischer M, Koza MM, Gesing TM. Murshed MM, et al. Among authors: fischer m. Phys Chem Chem Phys. 2024 Jun 6;26(22):16191-16199. doi: 10.1039/d4cp00752b. Phys Chem Chem Phys. 2024. PMID: 38804186

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