Concepedia

The structure of monomeric and dimeric uranyl adsorption complexes on gibbsite: A combined DFT and EXAFS study

Tatsuya Hattori, Takumi Saito, Keisuke Ishida, Andreas C. Scheinost, Takao Tsuneda, Shinya Nagasaki, Satoru Tanaka

Geochimica et Cosmochimica Acta · 2009 · 81 citations · 59 references

DOI

Concepts

References

59

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

, , +17

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Vincenzo Barone, Maurizio Cossi · The Journal of Physical Chemistry A · 1998 · 10K citations

, , +15

Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations

, , +14