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Shreya Sinha

2 results in Authors: Shreya Sinha

Theoretical and Computational Chemistry

Multi-dimensional neural network interatomic potentials for CO on NaCl(100)

Shreya Sinha, Bruno Mladineo, Ivor Lončarić, Peter Saalfrank

Version 1 posted 28 August 2024

114

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Theoretical and Computational Chemistry

When Carbon Monoxide goes “Upside Down”: Vibrational Signatures of CO at NaCl(100) from Ab Initio Molecular Dynamics

Shreya Sinha, Alec M. Wodtke, Peter Saalfrank

Version 1 posted 09 December 2024

74

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