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Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics
by
Hu, Yunfeng
,
Ounkham, Phonemany
,
Marsalek, Ondrej
,
Markland, Thomas E
,
Krishmoorthy
,
Bala
,
Clark, Aurora E
Published in
Frontiers in chemistry
(05.03.2021)
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Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics
by
Hu, Yunfeng
,
Ounkham, Phonemany
,
Marsalek, Ondrej
,
Markland, Thomas E.
,
Krishmoorthy
,
Bala
,
Clark, Aurora E.
Published in
Frontiers in chemistry
(05.03.2021)
Get full text
Journal Article
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chemistry
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chemistry
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chemistry, multidisciplinary
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path integral molecular dynamics
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persistent homology
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physical sciences
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proton transfer
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