3/19/2023 0 Comments Singlecrystal 2 cif![]() HUG and SQUEEZE: using CRYSTALS to incorporate resonant-scattering in the SQUEEZE structure factor contributions to determine absolute structure (R.I.Some Experimental Aspects of Absolute Configuration Determination using Single Crystal X-Ray Diffraction (A.Prizes at the BCA Spring Meeting 2018 in Warwick Posted on: Apr 5th, 2018.An enhanced set of displacement parameter restraints in CRYSTALS (P.ECM31, Oviedo and ECA Crystallographic Computing School, Mieres Posted on: Aug 29th, 2018.Unexpected Behaviour in Derivatives of Barluenga's Reagent (L.A hexagonal planar transition-metal complex (M.Increasing the performance, trustworthiness and practical value of machine learning models: a case study predicting hydrogen bond network dimensionalities from molecular diagrams (A.P.Howard Flack and the Flack Parameter (D.J.Now that the the code is Open Source, any programmers wishing to help with porting the code to other platforms should get in touch. There is no up to date LINUX or Mac version available. The programs are currently only available for the Microsoft Windows XP/Vista/7 range of operating systems. HKLF52CRY converts SHELX HKLF5 (twinned data) files to Crystals format input files.CIF2CRY converts CIFs to Crystals format input files.CSD2CRY converts CSD files to Crystals format input files. ![]()
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