Crystal structure of olanzapine form III @unipr @IUCrJ doi.org/10.1107/S20522525240… @IITalk @unipr #IIT #3DED #electrondiffraction #olanzapine #organic #crystallography #abinitio #structuredetermination #dynamicalrefinement @IUCr #openaccess
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10 Apr 2024
Berkecoumarin by X-ray and electron diffraction @ActaCrystC @IUCr doi.org/10.1107/S20532296240… @ChemUmt @umontana @FZU_AVCR @CzechAcademy @PalatinusGroup @NIH @NSF @NIGMS @SimonsFdn #absolutestructure #electrondiffraction #microED #dynamicalrefinement #Berkecoumarin #openaccess
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21 Apr 2023
An odyssey coming to an end! Almost 4 years of intense work at the microscope and computer distilled into one paper. #DynamicalRefinement from continuous-rotation #3DED data gives, i.a., a quick and reliable absolute structure determination. nature.com/articles/s41557-0…
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20 Apr 2023
A #MustRead paper regarding #SmallMolecule #3DED/#microED #DynamicalRefinement👍👍: nature.com/articles/s41557-0… @NatureChemistry @Alnitak42 @PalatinusGroup @xzoulab @XUEY85 #PETS2 #JANA2020 #IUCr #crystallography #education
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20 Apr 2023
"Although the #DynamicalRefinement improves the fit significantly compared to the kinematical refinement, its current implementation still does not describe the electron diffraction data fully. " 😀😀journals.iucr.org/a/issues/2… @PalatinusGroup @IUCr #crystallography #education
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Cleverley and Beanland: Modelling fine-sliced three dimensional electron diffraction data with dynamical Bloch-wave simulations #DynamicalRefinement @warwickuni @warwickuni... #IUCr scripts.iucr.org/cgi-bin/pap…
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