Exact(7)
Studies of the European robin (and the robin had to wear a cute little eyepatch during this research) suggest that a particular configuration of a molecule in the robin's retina – a configuration that can only be explained by the rules of quantum theory – allows the bird to sense Earth's magnetic field and thus determine the direction in which it should fly.
Such estimation enables to speak about the oxygen model of the electronic configuration of a molecule of protein.
Temperature-dependent transformations of the adsorption configuration of a molecule containing 2,2′:6′,2″-terpyridine (terpy) end-groups on a flat Cu(1 1 1) surface are studied by a combination of scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations.
Species correspond to a specific configuration of a molecule and can be considered as instances of the corresponding molecule definitions.
Focusing on the optimal configuration of a molecule selects for materials that can be used more efficiently by the human body while cutting down on pharmaceutical bulk.
A classic example of such a tangible model, used in chemistry education since the beginning of the 20th century, is the representation of the atomic configuration of a molecule using balls and sticks or space-filling spheres (Petersen, 1970).
Similar(53)
Molecule-level data frequently experiences the problem of "high dimensionality," where the data has a large number of independent attributes; this is because molecule-level data tends to have thousands (or tens of thousands) of possible molecules, configurations of molecules, or molecule-molecule interactions, and these are represented in datasets as features.
Particularly, many efforts have been focused on the theoretical study of the simplest configuration of a QD molecule, namely, a pair of QDs coupled by tunneling [10 13].
Therefore, finding out the electronic configuration of a protein molecule and the type of its crystallinity requires the certain average analysis.
For example, one may be interested in the three-dimensional configuration of a given molecule directly, or in a more standard and canonical way of representing chemical graph structure with InChI strings [29].
The prediction and verification of atomic positions— the geometrical configuration— of a complex molecule like a protein, or of a chemically reactive surface, or of a doped solid interface, for example, begins to yield to atomistic simulations based upon classical or semiclassical force-fields.
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