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Personal Impressions from WATOC 2020 – Dispersion and non Born-Oppenheimer models.

Monday, July 11th, 2022

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Raw data and the evolution of crystallographic FAIR data. Journals, processed and raw structure data.

Monday, March 28th, 2022

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Raw data: the evolution of FAIR data and crystallography.

Tuesday, March 1st, 2022

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Data base or Data repository? – A brief and very selective history of data management in chemistry.

Wednesday, January 26th, 2022

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Quantum chemistry interoperability (library): another step towards FAIR data.

Saturday, January 1st, 2022

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Biotin’s biggest lesson is the importance of nonclassical H-bonds in protein−ligand complexes.

Saturday, November 27th, 2021

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A comparison of descriptive metadata across different data repositories.

Tuesday, September 28th, 2021

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Tetra-isopropylmethane and tetra-t-butylmethane.

Tuesday, August 17th, 2021

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A closer look at that fourth bond in C2.

Wednesday, June 2nd, 2021

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A reality-based suggestion for a molecule with a metal M⩸N quadruple bond.

Thursday, May 13th, 2021

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Posted in crystal_structure_mining | No Comments »

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