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Theoretical and Computational Chemistry

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Path Integral Simulations

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3 results in Keywords: Path Integral Simulations

Theoretical and Computational Chemistry

Nuclear quantum effects in hydroxide hydrate along the H-bond bifurcation pathway

Mrinal Arandhara, Sai G. Ramesh

Version 1 posted 26 October 2023

150

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Theoretical and Computational Chemistry

Nuclear Quantum Effects in Gas-Phase 2-Fluoroethanol

Mrinal Arandhara, Sai G. Ramesh

Version 2 posted 03 October 2023

194

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Theoretical and Computational Chemistry

Nuclear Quantum Effects in Gas-Phase Ethylene Glycol

Mrinal Arandhara, Sai Ramesh

Version 1 posted 02 January 2024

118

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1

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