Computational and Theoretical Chemistry

ISSN: 2210-271X
Publisher: Elsevier BV

Publications (3)

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Journal article
Unpublished / Preprint

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Abstract

Exploring the influence of halogen-substituted Cp*RuX catalysts on RuAAC [3 + 2] cycloaddition: A quantum mechanical investigation” (2025) Khairbek AA, Al-Zaben MI, Puchta R, Thomas R Journal article The curious case of S4N4 − A reinvestigation (2024) Al-Yassiri MA, Puchta R Journal article Proton affinity Revisited: Benchmarking computational approaches for accurate predictions (2024) Mathew M, Puchta R, Thomas R Journal article