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2 articles related to "Nuclear Quantum Effects"

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Articles

Original Research

Published on 15 Dec 2022

Nuclear quantum effects in fullerene–fullerene aggregation in water

in Theoretical and Computational Chemistry

Sara Panahian Jand
Zahra Nourbakhsh
Luigi Delle Site

Frontiers in Chemistry

doi 10.3389/fchem.2022.1072665

3,652 views
4 citations

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

4,081 views
3 citations