currently, i am working on electrical double layer capacitor. so i would like know that how to calculate the standard oxidation and reduction potential of Ionic Liquid by using Gaussian View software .
I think you mean Gaussian and not Gaussview. Gaussview is the visualization software for Gaussian package which aid in creating input files for Gaussian and also you can visualize the input and output with the help of Gaussview. The actual calculation is done by Gaussian.
There are many good tutorials available online for computational calculation of redox potential. You can check the following,
I want to find redox potential of 1-butyl-3-methyl pyridinium tetrafluoroborate in acetonitrile. and i am referring the second link that was given by you already. I got the result for cation that is comparable with my experimental data but i cant able to find the redox potential of anion part(tetrafluoroborate). And i used the same method that is given in second tutorial link.
I calculated redox potential that way already and i also attached the tutorial from that i calculated just check tell me it is right method. Rahul Kumar do you know how to calculate redox potential from HOMO- LUMO ?
EOX/RED = a + b.EHOMO/LUMO; where EOX/RED are the experimental redox potentials; EHOMO/LUMO the calculated HOMO and LUMO energies; and a and b are constants.
1. Logic of the Second Law of Thermodynamics: Subjectivism, Logical Jump, Interdisciplinary Argumentation.
2. New thermodynamics pursues universality, two theoretical cornerstones:
2.1 Boltzmann formula: ro=A*exp(-Mgh/RT) - Isotope centrifugal separation experiments show that it is suitable for gases and liquids.
2.2. Hydrostatic equilibrium: applicable to gases and liquids.
3. The second and third sonic virial coefficients of R143a derived from the new thermodynamics are in agreement with the experimental results.
3.1. The third velocity Virial coefficient derived is in agreement with the experimental data, which shows that the theory is still correct when the critical density is reached.
4. See Appendix Pictures and Documents for details.