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Analytical Chemistry

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Theoretical and Computational Chemistry

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Martin Priessner

3 results in Authors: Martin Priessner

Theoretical and Computational Chemistry

HSQC Spectra Simulation and Matching for Molecular Identification

Martin Priessner, Anna Tomberg, Jon Paul Janet, Richard J. Lewis, Jonathan M. Goodman, Magnus J. Jonahnsson

Version 1 posted 11 October 2023

437

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Theoretical and Computational Chemistry

Enhancing Molecular Structure Elucidation with Reasoning-Capable LLMs

Martin Priessner, Anna Tomberg, Jon Paul Janet, Richard Lewis, Magnus Johansson, Jonathan Goodman

Version 1 posted 06 May 2025

141

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Theoretical and Computational Chemistry

Enhancing Molecular Structure Elucidation: MultiModalTransformer for both simulated and experimental spectra

Martin Priessner, Richard Lewis, Jon Paul Janet, Isak Lemurell, Magnus Johansson, Jonathan Goodman, Anna Tomberg

Version 1 posted 15 November 2024

1,189

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