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Drug, molecules consist of a few tens of atoms connected by covalent bonds. Haw many such molecules are possible in total and what is their structure? This question is of pressing interest in: medicinal. chemistry to help solve the problems of drug potency ...
We introduce a density-dependent bonding descriptor that enables simultaneous visualization of both covalent and noncovalent interactions. The proposed quantity is tailored to reveal the regions of space, where the total electron density results from a str ...
The present invention concerns materials consisting in a porous and structured network, this network being at least in part formed by Si atoms, or Si atoms and metal atoms, linked to each other by oxy bridges, comprising organic molecules which include at ...
One central aim of nanotechnology is the creation and exploitation of nanostructured materials with pre-programmed architecture and properties. The fabrication of functional nanostructures relies on versatile protocols of synthetic chemistry enabling the p ...
A new iron tellurite halide Fe3Te3O10Cl has been identified that crystallizes in the monoclinic space group P2(1)/c. The crystal structure comprises channels where the Cl ions and also the stereochemically active lone-pair electrons on Te4+ are located. Th ...
Polyoxometalates (POMs) are desirable in materials applications ranging from uses as catalysts in selective oxidn. reactions to mol.-like building blocks for the prepn. of new extended solids. Using an unprecedented approach involving high temp., molten sa ...
A 2D phase-field model has been developed in order to describe the morphology of a pore forming within interdendritic liquid channels and the geometrical effect of mechanical contacts with neighboring solid. The distribution of the solid, liquid and gas ph ...
A 2D phase-field model has been developed in order to describe the morphology of a pore forming within interdendritic liquid channels and the geometrical effect of mechanical contacts with neighboring solid. The distribution of the solid, liquid and gas ph ...
Surface-confined self-assembled molecular networks are commonly described as crystalline structures with short- and long-range order. Few exceptions to this trend are found in the literature reporting on amorphous and glassy networks and, discussing the or ...
We determined the heterogeneous mesoscale spatial apportionment of functional groups in a series of multivariate metal-organic frameworks (MTV-MOF-5) containing BDC (1,4-benzenedicarboxylate) linkers with different functional groups - B (BDC-NH2), E (BDC-N ...