POSTERS SESSION, section II: Electronic properties and derived functions of MOFs


dr. Neyvis Almora-Barrios | Guest-Modulation of Chemiresistive Behaviour in 2D Metal-Organic Framework | 056


Marco Ballabio | Unraveling the Nature of Charge Transport in MOFs by THz Spectroscopy | 057

Kamal Batra | Predictive Power of DFT Functionals on Spectroscopic Properties of Porphyrin Derivatives for Design and Applications of Metal Organic Frameworks | 058


dr. Joaquin Calbo Roig | Electronic Properties of MUV-2: A TTF-Based Hierarchical Hybrid Organic-Inorganic Crystal Structure with Mesoporous and Microporous Channels | 059


Arthur De Vos | Insight in Heterogeneous Photocatalysis by Anchoring a Photoactive Ru-Complex on a Covalent Triazine Framework | 060

Lorenzo Donà | Application of Cost-Effective Ab Initio Composite Methods as Applied to the Study of Metal-Organic Frameworks | 061


Matthias Golomb | Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity | 062

Adrian Gonzalez-Nelson | Rotational Energy Barriers of Polar Linkers in MIL-53 | 063


Khaled Hassanein | Coordination Polymers Based on Copper(I) Thiolates: Synthesis, Characterization and Applications | 064


Aseem Rajan Kshirsagar | First-Principles Investigation of Functionalized Photo-Responsive MOFs for Energy Efficient Carbon Capture | 065


Chen Lei | Computational Attempts to Approach Magnetism in Metal Organic Frameworks (MOFs) | 066

dr. Kurt Lejaeghere | Designing Temperature-Responsive Flexible Metal-Organic Frameworks by Tuning the Balance between Dispersion and Entropy | 067

Hung-Hsuan Lin | Fragment-Based Restricted-Active-Space Configuration Interaction Embedded in the Periodic Hartree-Fock Calculation | 068


Patrick Melix | A Combined DFT – LFMM Study of the Flexibility in DUT-8(Ni) | 069

Srinidhi Mula | Piezoelectricity of MOFs: The Case of ZIFs | 070


dr. Nina Vankova | Water-Induced Defects in HKUST-1 SURMOF | 071