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Organic Chemistry

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Theoretical and Computational Chemistry

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density functional calculation

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2 results in Keywords: density functional calculation

Theoretical and Computational Chemistry

Key Interacting Residues Between RBD of SARS-CoV-2 and ACE2 Receptor: Combination of Molecular Dynamic Simulation and Density Functional Calculation

Bahaa Jawad, Puja Adhikari, Rudolf Podgornik, Wai-Yim Ching

Version 1 posted 19 May 2021

630

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Organic Chemistry

A General Pyrrolidine Synthesis via Iridium-Catalyzed Reductive Azomethine Ylide Generation from Tertiary Amides & Lactams

Ken Yamazaki, Pablo Gabriel, Graziano Di Carmine, Julia Pedroni, Mirxan Farizyan, Trevor Hamlin, Darren J. Dixon

Version 2 posted 27 January 2021

815

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