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quantum transport

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2 results in Keywords: quantum transport

Theoretical and Computational Chemistry

Molecular conductance calculations on single-molecule junctions using projection-based density functional embedding

Dávid P. Jelenfi, Attila Tajti, Péter G. Szalay

Version 2 posted 14 November 2024

92

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Physical Chemistry

Constant inner potential DFT for modelling electrochemical systems under constant potential and bias

Marko Melander, Tongwei Wu, Karoliina Honkala

Version 3 posted 01 March 2023

1,300

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6

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