"Quantum Chemical Calculations with Machine Learning for Multipolar ..."

Yongna Yuan et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C00747

access: closed

type: Journal Article

metadata version: 2023-09-30

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Yongna Yuan, Haoqiu Yan, Zeyang Cui, Zhenyu Liu, Wei Su, Ruisheng Zhang:
Quantum Chemical Calculations with Machine Learning for Multipolar Electrostatics Prediction in RNA: An Application to Pentose. J. Chem. Inf. Model. 62(17): 4122-4133 (2022)

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