Explore molecular compounds. Learn the definition of a molecular compound and find how it differs from ionic compounds. See properties of molecular...
faster-than-DFT models are desirable as the design of new materials requires that many potential compounds are considered. Modern semiempirical Hamiltonians tend to be especially fast, relying on a tight-binding (rather than NDDO) approximation. They include the density functional tight-binding (DFTB...
The authors investigate fundamental interactions in low-valent uranium compounds using resonant inelastic X-ray scattering, providing insights into their complex electronic structures and contributing to our understanding of actinide chemistry. C. L. Silva , L. Amidani & K. O. Kvashnina Article ...
ChemInform Abstract: Chemistry of Novel Compounds with Multifunctional Carbon Structure. Part 5. Molecular Design of Versatile Building Blocks for Aliphatic Monofluoro Molecules by Manipulation of Multifunctional Carbon Structuresdoi:10.1002/chin.199017107...
The existence of metalcarbenesas stable molecular entities was recognized in 1960 in the award of the Nobel Prize in Chemistry to Ernst OttoFischer,4and their existence explained the possible role of certain transition metal compounds in transformingdiazo compoundsto carbenoid species that underwent appa...
BRICS substructures can be assembled to form novel molecules by following a set of complementary rules. Molecular scaffold is another widely applied concept in medicinal chemistry and is mostly used to represent the core structures of bioactive compounds. A representative definition for scaffold is the...
4.(Chemistry)chema system containing particles dispersed in a solid, liquid, or gas 5.(Military)militarythe pattern of fire from a weapon system 6.(Astronomy) a.the range of speeds of such objects as the stars in a galaxy b.the frequency-dependent retardation of radio waves as they pass ...
systems, this simply isn't a reliable option, as the user has no assurance that the solvent and the matrix have been made on the same scale. With our models you can immediately see, for example, why diamond is more dense than graphite and why zeolites absorb some compounds but not ...
SylvainCélanire, ...Jean-PhilippeRocher, inAnnual Reports in Medicinal Chemistry, 2012 3.3Non alkyne-based mGluR5 chemotypes Bioisosteric replacement of the ethynyl bond, which keeps themolecular topologyand the established SAR within the alkyne series, is exhibited by compounds such as 1,2,4-oxad...
As will be explained in the following, H2 and D2 exist in two modifications each, so that molecular hydrogen is naturally a mixture of five compounds (HD and the two modifications for H2 and the two for D2). However, being deuterium scarcely abundant with respect to protium, molecular ...