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The 3e' orbitals of cyclopropane have the correct symmetry to interact with low-lying unoccupied orbitals of -acceptor substituents and maximum overlap occurs when the two orbital systems are parallel, i.e. when the -acceptor bisects the ring in projection down the substituent bond. Since the...
The polymeric isomorphous hybrid inorganic-organic vanadium oxide compounds M(Im)4V2O6, M = Mn, Co, Ni, Im = imidazole, were investigated at various temperatures between 100 and 295 K by single-crystal X-ray diffraction. The crystals all contain two-dimensional polymeric sheets packed...
The multipolar atom model, constructed by transferring the charge-density parameters from an experimental or theoretical database, is considered to be an easy replacement of the widely used independent atom model. The present study on a new crystal structure of quercetin monohydrate...
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