Concepedia

Reconsideration about the competitive adsorption of H2O and CO2 on carbon surfaces: The influence of oxygen functional groups

Mingqi He, Haiqian Zhao, Xue Yang, Jiuyang Jia, Xin Liu, Zhibin Qu, Wei Zhou, Fei Sun, Zhonghua Wang

Journal of environmental chemical engineering · 2023 · 42 citations · 46 references

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Concepts

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46

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Multiwfn: A multifunctional wavefunction analyzer

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

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Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Dirk Andrae, Michael Dolg, Hermann Stoll · Theoretica Chimica Acta · 1990 · 8.5K citations

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Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

Tian Lu, Qinxue Chen · Journal of Computational Chemistry · 2022 · 3.5K citations

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Some aspects of the surface chemistry of carbon blacks and other carbons

H.P. Boehm · Carbon · 1994 · 3K citations

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