Now showing items 1-10 of 10116
Cation mobility and structural changes on the water removal in zeolite-like zinc hexacyanometallates (II)
(Journal of Physics and Chemistry of Solids, 2013-01-16)
Crystal structures of three anhydrous nitroprussides: M†Fe„CN…5NO‡ „M=Mn,Zn,Cd…
(Powder Diffraction, 2013-01-16)
On the crystal structures of some nickel hexacyanoferrates II,III
(International Centre for Diffraction, 2013-01-16)
Lead hexacyanoferrate(II) tetrahydrate: Crystal structure, FTIR spectroscopy
Colloidal Photonic Crystal Pigments with Low Angle Dependence
(APPLIED MATERIALS & NTERFACES, 2013-01-16)
Crystal structure prediction from first principles: The crystal structures of glycine
(Elsevier Science, 2015-04)
Here we present the results of our unbiased searches of glycine polymorphs obtained using the genetic algorithms search implemented in MGAC, modified genetic algorithm for crystals, coupled with the local optimization and ...
Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field
(John Wiley & Sons Inc, 2009-10)
This article describes the application of our distributed computing framework for crystal structure prediction (CSP) the modified genetic algorithms for crystal and cluster prediction (MGAC), to predict the crystal structure ...
Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure
The asymmetric unit of the title compound, C8H9NO2 H2O consists of an isolated 4-(ammoniomethyl)benzoate zwitterion derived from 4-aminomethylbenzoic acid through the migration of the acidic proton, together with a ...
Crystal structure of 4,4 -(disulfanediyl)dibutanoic acid–4,4 -bipyridine (1/1)
4,40-(Disulfanediyl)dibutanoic acid (dtba) and 4,40-bipyridine (4,40-bpy) crystallize in an 1:1 ratio, leading to the title co-crystal with composition C8H14O4S2 C10H8N2. A distinctive feature of the crystal structure ...