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2 articles related to "Ring Polymer"

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Articles

Original Research

Published on 05 Mar 2021

Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics

in Chemical Physics and Physical Chemistry

Yunfeng Hu
Phonemany Ounkham
Ondrej Marsalek
Thomas E. Markland
Bala Krishmoorthy
Aurora E. Clark

Frontiers in Chemistry

doi 10.3389/fchem.2021.624937

4,080 views
3 citations

Mini Review

Published on 09 Oct 2024

How to simulate dissociative chemisorption of methane on metal surfaces

in Theoretical and Computational Chemistry

Nick Gerrits

Frontiers in Chemistry

doi 10.3389/fchem.2024.1481235

1,764 views
1 citation