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4 results in Authors: Margaret Berrens

Earth, Space, and Environmental Chemistry

Revealing the Photochemical Pathways of Nitrate in Water through First-Principles Simulations

Kam-Tung Chan, Margaret Berrens, Zekun Chen, C. William McCurdy, Cort Anastasio, Davide Donadio

Version 1 posted 03 January 2025

85

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Physical Chemistry

Solvation and Stabilization of Single Strand RNA at the Air/ice Interface Support a Primordial RNA World on Ice

Ivan Gladich, Margaret Berrens, Penny Rowe, Rodolfo Pereyra, Steven Neshyba

Version 1 posted 13 April 2020

441

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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

214

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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

473

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