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Earth, Space, and Environmental Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Last 3 years

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Kam Tung Chan

2 results in Authors: Kam Tung Chan

Theoretical and Computational Chemistry

Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential

Zekun Chen, Margaret L. Berrens, Kam-Tung Chan, Zheyong Fan, Davide Donadio

Version 1 posted 18 October 2023

444

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Earth, Space, and Environmental Chemistry

Solvation Structure and UV-Visible Absorption Spectra of the Nitrate Anion at the Air-Ice Interface by First Principles Molecular Simulations

Margaret Berrens, Zekun Chen, Kam Tung Chan, Cort Anastasio, Davide Donadio

Version 1 posted 11 August 2023

181

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