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Fluorination as a Driving Force in Crystal Structures
(Commission on Quantum Crystallography of IUCr, 2020)
The results of the crystallographic analysis in combination with quantum chemical calculations have
shown that fluorination of organic compounds causes an increase in the proton-donating ability and a
decrease in the ...
Substitution of S by Se. Supramolecular Insight.
(Commission on Quantum Crystallography of IUCr, 2020)
The study includes the crystallographic analysis of interactions of S and Se from Cys, Met, Sec and Mse side chains, based on crystal structures from the Cambridge Structural Database (CSD), and quantum-chemical insight ...