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EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles

Valeria B. Arce, Romina Mariel Gargarello, Florencia Ortega, Virginia Romañano, Martín Mizrahi, J. Lopez, Carlos J. Cobos, Cláudio Airoldi, Cecilia Bernardelli, Edgardo Donati,

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 24 citations · 31 references

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31

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

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

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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

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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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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

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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

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