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Derek Lowe asks “What’s a Journal For?” – Knowledge graphs?

Friday, October 21st, 2022

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Nitroaryls- A less-toxic alternative reagent for ozonolysis: modelling the final step to form carbonyls.

Saturday, October 8th, 2022

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A new type of bispericyclic reaction: Cyclopropanone + butadiene.

Friday, September 30th, 2022

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Four stages in the evolution of interactive ESI as part of articles in chemistry journals.

Thursday, August 25th, 2022

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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

Posted in Chemical IT | 2 Comments »

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

Posted in Interesting chemistry | No Comments »

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