Highly efficient additive-free dehydrogenation of neat formic acid

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

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Accurate Coulomb-fitting basis sets for H to Rn

Florian Weigend · Physical Chemistry Chemical Physics · 2006 · 8.8K citations

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Software update: the ORCA program system, version 4.0

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2017 · 5.8K citations

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