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National Repository of Grey Literature

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Theoretical Interpretation of Enantioselectivity Trends in (R)-Ru-BINAP Catalyzed Hydrogenation of Methylacetoacetate in the QAS Ionic Liquid Phase Dytrych, Pavel ; Klusoň, Petr ; Floriš, Tomáš ; Lísal, Martin ; Slater, M. An essential part of this work was focused on the role of the alkyl chain length in NR 222Tf2N and its reflection in the evaluated kinetic parameters. For this screening NR 222Tf2N was mixed with methanol using the one-to-one weight ratio. Fulltext: PDF Detailed record

Počítačová simulace reálných molekulárních systémů Hašek, Jindřich The main source of experimental information about structure of bio-macromolecules is the "Protein Data Bank (PDB)" containing mostly data received by X-ray diffraction. The paper summarizes basic steps necessary for full and unbiased usage of these data in molecular modeling and simulation of molecular dynamics. Detailed record

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