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drug-like molecules

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2 results in Keywords: drug-like molecules

Theoretical and Computational Chemistry

Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields

Pavan Kumar Behara, Hyesu Jang, Joshua Horton, Trevor Gokey, David Dotson, Simon Boothroyd, Christopher Bayly, Daniel Cole, Lee-Ping Wang, David Mobley

Version 3 posted 14 May 2024

691

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Organic Chemistry

Construction of vicinal 4°/3°-carbons via reductive Cope rearrangement

Kristin Sobie, Matthew Albritton, Yinuo Yang, Mariana Alves, Adrian Roitberg, Alexander Grenning

Version 1 posted 25 October 2021

394

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