Metal–organic frameworks in Germany: From synthesis to function
Metal–organic frameworks (MOFs) are constructed from a combination of inorganic and
organic units to produce materials which display high porosity, among other unique and …
organic units to produce materials which display high porosity, among other unique and …
Bioinspired chemistry at MOF secondary building units
The secondary building units (SBUs) in metal–organic frameworks (MOFs) support metal
ions in well-defined and site-isolated coordination environments with ligand fields similar to …
ions in well-defined and site-isolated coordination environments with ligand fields similar to …
Extension of the universal force field to metal–organic frameworks
MA Addicoat, N Vankova, IF Akter… - Journal of chemical …, 2014 - ACS Publications
The Universal Force Field (UFF)(Rappé et al., J. Am. Chem. Soc. 1992) provides a general
approach to molecular mechanics for molecules and materials composed of elements …
approach to molecular mechanics for molecules and materials composed of elements …
Extension of the universal force field for metal–organic frameworks
We have extended the Universal Force Field for Metal–Organic Frameworks (UFF4MOF) to
cover all moieties present in the most extensive framework library to date, ie, the …
cover all moieties present in the most extensive framework library to date, ie, the …
Scorpionate‐Type Coordination in MFU‐4l Metal–Organic Frameworks: Small‐Molecule Binding and Activation upon the Thermally Activated Formation of Open …
D Denysenko, M Grzywa, J Jelic… - Angewandte Chemie …, 2014 - Wiley Online Library
Postsynthetic metal and ligand exchange is a versatile approach towards functionalized
MFU‐4l frameworks. Upon thermal treatment of MFU‐4l formates, coordinatively strongly …
MFU‐4l frameworks. Upon thermal treatment of MFU‐4l formates, coordinatively strongly …
Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4 l (arge)
D Denysenko, T Werner, M Grzywa, A Puls… - Chemical …, 2012 - pubs.rsc.org
Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4 l ( arge ) -
Chemical Communications (RSC Publishing) DOI:10.1039/C2CC16235K Royal Society of …
Chemical Communications (RSC Publishing) DOI:10.1039/C2CC16235K Royal Society of …
Quantum chemical modeling of hydrogen binding in metal–organic frameworks: validation, insight, predictions and challenges
A detailed chemical understanding of H2 interactions with binding sites in the nanoporous
crystalline structure of metal–organic frameworks (MOFs) can lay a sound basis for the …
crystalline structure of metal–organic frameworks (MOFs) can lay a sound basis for the …
Assessing the Role of Metal Identity on CO2 Adsorption in MOFs Containing M–OH Functional Groups
Heterobimetallic analogues of CFA-1 [Zn1+ z M4-z X4 (bibta) 3, bibta2–= 5, 5′-
bibenzotriazolate, M= Co (z= 0), Ni (z= 1), Cu (z= 2.3), X= Cl–, Br–, CH3CO2–] have been …
bibenzotriazolate, M= Co (z= 0), Ni (z= 1), Cu (z= 2.3), X= Cl–, Br–, CH3CO2–] have been …
High-temperature carbon dioxide capture in a porous material with terminal zinc hydride sites
Carbon capture can mitigate point-source carbon dioxide (CO2) emissions, but hurdles
remain that impede the widespread adoption of amine-based technologies. Capturing CO2 …
remain that impede the widespread adoption of amine-based technologies. Capturing CO2 …
Computational Optimization of Room Temperature Usable Capacity for Hydrogen Storage in MFU-4-Type Metal–Organic Frameworks via Pairwise Metal Substitutions
The efficient storage of hydrogen is a critical challenge in the quest for sustainable energy
solutions. Current adsorbent-based methods achieve satisfactory storage densities …
solutions. Current adsorbent-based methods achieve satisfactory storage densities …