Concepedia

A novel phosphorylated hyper-crosslinked porous polymer for efficient uranium adsorption in water

Yan He, Wenli Bao, Qingwang Du, Xuan Wu, Xiaolei Fu, Dingzhong Yuan, Bing Na, Fengtao Yu, Shaoze Zhang, Changjun Peng,

Separation and Purification Technology · 2023 · 50 citations · 46 references

DOI

Concepts

References

46

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

, , +16

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5

Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide

W. Küchle, Michael Dolg, Hermann Stoll · The Journal of Chemical Physics · 1994 · 1.7K citations

, , +17

Segmented contraction scheme for small-core actinide pseudopotential basis sets

Xiaoyan Cao, Michael Dolg · Journal of Molecular Structure THEOCHEM · 2004 · 792 citations

, , +6