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Patrick Melix
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Fine-Tuning a Robust Metal–Organic Framework toward Enhanced Clean Energy Gas Storage
Z Chen, MR Mian, SJ Lee, H Chen, X Zhang, KO Kirlikovali, S Shulda, ...
Journal of the American Chemical Society 143 (45), 18838-18843, 2021
882021
Conformational isomerism controls collective flexibility in metal–organic framework DUT-8 (Ni)
PS Petkov, V Bon, CL Hobday, AB Kuc, P Melix, S Kaskel, T Düren, ...
Physical Chemistry Chemical Physics 21 (2), 674-680, 2019
482019
Air-Stable Cu (I) Metal–Organic Framework for Hydrogen Storage
D Sengupta, P Melix, S Bose, J Duncan, X Wang, MR Mian, KO Kirlikovali, ...
Journal of the American Chemical Society 145 (37), 20492-20502, 2023
192023
Spin polarization in SCC-DFTB
P Melix, AF Oliveira, R Rüger, T Heine
Theoretical Chemistry Accounts 135 (9), 232, 2016
122016
London Dispersion Governs the Interaction Mechanism of Small Polar and Non-Polar Molecules in Metal-Organic Frameworks
P Melix, T Heine
The Journal of Physical Chemistry C, 2020
102020
A Ligand Field Molecular Mechanics Study of CO2‐Induced Breathing in the Metal–Organic Framework DUT‐8(Ni)
P Melix, F Paesani, T Heine
Advanced Theory and Simulations, 1900098, 2019
92019
Investigation of CO2 Orientational Dynamics through Simulated NMR Line Shapes**
P Melix, T Heine
ChemPhysChem 22 (22), 2336-2341, 2021
52021
AMS DFTB 2019: SCM, Theoretical Chemistry
R Rüger, A Yakovlev, P Philipsen, S Borini, P Melix, AF Oliveira, ...
Vrije Universiteit, 2019
32019
Interfacial Unit-Dependent Catalytic Activity for CO Oxidation over Cerium Oxysulfate Cluster Assemblies
MC Wasson, X Wang, P Melix, S Alayoglu, ATY Wolek, I Colliard, FA Son, ...
ACS Appl. Mater. Interfaces, 2022
22022
Single-Step Selective Oxidation of Methane by Iron-Oxo Species in the Metal–Organic Framework MFU-4l
P Melix, RQ Snurr
The Journal of Physical Chemistry C 127 (31), 15227-15238, 2023
2023
Flexible Metal-organic Frameworks: On Intra-and Intermolecular Interactions
P Mélix
Universität Leipzig, 2020
2020
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