Title of article :
DFT Method Estimation of Standard Redox Potential of Metals
Author/Authors :
Kobayashi، Hisayoshi نويسنده , , Kudo، Akihiko نويسنده , , Miura، Toshiko نويسنده , , Shimodaira، Yoshiki نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Abstract :
The DFT method calculation was carried out to evaluate standard redox potential for metal/metal cation systems. With the Born–Haber cycle, standard redox potential is composed of the cohesive energy, ionization energy, and hydration energy. Utilizing experimental values of the cohesive energy of metals, the root-mean-square deviation of calculated and experimental values was 0.29 V for 17 ions.
Keywords :
prediction , grinding , Power requirement , Surface finish , Genetic-fuzzy system , Application-production research
Journal title :
CHEMISTRY LETTERS
Journal title :
CHEMISTRY LETTERS
