Concepedia

ESIPT-based benzazole-pyromellitic diimide derivatives. A thermal, electrochemical, and photochemical investigation

Tiago Elias Allievi Frizon, Cristian A. M. Salla, Felipe Fardin Grillo, Fabiano Severo Rodembusch, Viktor Saraiva Câmara, Henrique C. Silva, Eduardo Zapp, Eduardo Junca, Fábio Z. Galetto, Angélica M. de Costa,

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2022 · 14 citations · 67 references

DOI

Concepts

References

67

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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The ORCA program system

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K 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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The ORCA quantum chemistry program package

Frank Neese, Frank Wennmohs, Ute Becker et al. · The Journal of Chemical Physics · 2020 · 5K citations · Full text

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Automated exploration of the low-energy chemical space with fast quantum chemical methods

Philipp Pracht, Fabian Bohle, Stefan Grimme · Physical Chemistry Chemical Physics · 2020 · 2.3K citations

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