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C&EN3d
Periodic Trends from Metal Substitution in Bimetallic Mo-Based Phosphides for Hydrodeoxygenation and Hydrogenation Reactions
Department of Chemical and Biomolecular Engineering, University of Notre Dame, 182 Fitzpatrick Hall, Notre Dame, Indiana 46556, United States Article Views are the COUNTER-compliant sum of full text ...
Producing superconductors for quantum circuit elements at high temperatures
A project led by the University of Melbourne's Dr. Manjith Bose and Professor Jeff McCallum, who are also members of the ARC ...
C&EN4d
Enhanced Sampling of Molecular Dynamics Simulations of a Polyalanine Octapeptide: Effects of the Periodic Boundary Conditions on Peptide Conformation
College of Life Sciences, Ritsumeikan University, 1-1-1 Noji-higashi, Kusatsu, Shiga 525-8577, Japan *(K.K.) Tel: +81-77-566-1111 (4413). E-mail: [email protected]. Article Views are the ...
Enhancing molecular machine learning with quantum-chemical insight
Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...