Concepedia

A high-performance hydroxide exchange membrane enabled by Cu2+-crosslinked chitosan

Meiling Wu, Xin Zhang, Yun Zhao, Chunpeng Yang, Shuangshuang Jing, Qisheng Wu, Alexandra H. Brozena, Jeffrey T. Miller, Nicole J. LiBretto, Tianpin Wu,

Nature Nanotechnology · 2022 · 179 citations · 47 references

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47

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K 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

, , +10

Toward reliable density functional methods without adjustable parameters: The PBE0 model

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

, , +9

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

, , +17

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

, , +15