Concepedia

A highly selective copper-tin alloy nanosheet/carbon-paper sensitive electrode for detecting nitrite at low electrochemical reduction potential based on a binary cooperative strategy

Xing Zhao, Guangfeng Zhou, Feiyang Chen, Haoyu Zhu, Chun Zhao, Hui Suo, Lan Ding

Chemical Engineering Journal · 2025 · 12 citations · 47 references

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47

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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Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

Frank Neese, Frank Wennmohs, Andreas Hansen et al. · Chemical Physics · 2008 · 3K citations

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An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix

Frank Neese · Journal of Computational Chemistry · 2003 · 1.4K citations

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Recent developments in libxc — A comprehensive library of functionals for density functional theory

Susi Lehtola, Conrad Steigemann, Micael J. T. Oliveira et al. · SoftwareX · 2017 · 909 citations · Full text

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Automatic Generation of Auxiliary Basis Sets

Georgi L. Stoychev, Alexander A. Auer, Frank Neese · Journal of Chemical Theory and Computation · 2016 · 712 citations

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