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Direct observation of<i>o</i>-benzyne formation in photochemical hexadehydro-Diels–Alder (<i>hν</i>-HDDA) reactions

Xiaonan Ma, Jan Maier, Michael Wenzel, Alexandra Friedrich, Andreas Steffen, Todd B. Marder, Roland Mitrić, Tobias Brixner

Chemical Science · 2020 · 13 citations · 97 references

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Abstract

-benzyne derivatives in solution as the products of photo-initiated HDDA reactions, and we deduce the time scales for their formation.

References

97

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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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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Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

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A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

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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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