Concepedia

Electron transfer at birnessite/organic compound interfaces: mechanism, regulation, and two-stage kinetic discrepancy in structural rearrangement and decomposition

Huan Ye, Zhaoyang Hu, Rongzhang Yin, Teak D. Boyko, Yunpeng Liu, Yanzhang Li, Yanzhang Li, Chunjiang Li, Yan Li, Yan Li

Geochimica et Cosmochimica Acta · 2024 · 14 citations · 74 references

DOI

Concepts

References

74

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K 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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Toward reliable density functional methods without adjustable parameters: The PBE0 model

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1999 · 18.9K 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

Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text

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The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

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