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Theoretical and Computational Chemistry
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  1. Home
  2. Year: 2021
  3. Month: June

Month: June 2021

Molecular vibrations from cNEO: Paper published in 2021 JCP Emerging Investigators Special Collection

Posted on June 28, 2021

This paper is published fast. Both reviewers gave very positive comments. The accurate vibrational frequencies from cNEO Hessian are still surprising to most people. Nuclear quantum effects could be more important than anharmonicity! One reviewer …

Posted in Publication

Welcome new group member: Dr. Zehua Chen

Posted on June 1, 2021

Zehua got his BS at Peking University and his PhD at Duke University. He will perform method development in multicomponent density functional theory at UW-Madison.

Posted in New Members

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