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4 results in Keywords: theoretical

Chemical Engineering and Industrial Chemistry

Pharmaceutical Digital Design: From Chemical Structure through Crystal Polymorph to Conceptual Crystallization Process

Christopher L. Burcham, Michael F. Doherty, Baron G. Peters, Sarah L. Price, Matteo Salvalaglio, Susan M. Reutzel-Edens, Louise S. Price, Ravi Kumar Reddy Addula, Nicholas Francia, Vikram Khanna

Version 1 posted 23 January 2024

895

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1

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Lattice oxygen evolution in rutile Ru(1−x)Ni(x)O2 electrocatalysts

Adrian Frandsen, Kateřina Minhová, Jan Rossmeisl, Petr Krtil

Version 1 posted 20 November 2023

342

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Inorganic Chemistry

Theoretical Insights into the Reduction of Azurin Metal Site with Unnatural Amino Acid Substitutions

Yang Wei, Pengfei Li

Version 2 posted 05 April 2024

198

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Materials Chemistry

SAM (self-assembled monolayer)-based Photocatalytic Chip from Immobilized Polytriazoles

debasis samanta, P Ramar, V Raghavendra, P Murugan

Version 3 posted 10 March 2022

1,438

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