Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase Trans and Gauche Ethanol Conformers

Bibliographic Details
Title: Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase Trans and Gauche Ethanol Conformers
Authors: Nandi, Apurba, Conte, Riccardo, Qu, Chen, Houston, Paul L., Yu, Qi, Bowman, Joel M.
Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 18(9):5527-5538
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Database: British Library Document Supply Centre Inside Serials & Conference Proceedings
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ISSN:15499618
Published in:JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Language:English