Akilesh Muralidharan

2 Questions 3 Answers 0 Followers

Questions related from Akilesh Muralidharan

What is the standard formula to calculate the conductivity from energy gap ?

I need to calculate the conductivity of the my material. From the previous reported articles i got these formulas 1. σ ∝ exp(-Eg/2*Kb*T) Kb - Boltzmann constant T - Temperature (in kelvin) Eg...

26 April 2024 1,401 3 View

How can I define the two different solvent simultaneously in the Gaussian 16 software?

I need to optimize the structure in solvent mixture of ethanol and toluene in various proportion (Gaussian 16 software) using the DFT methods. How can I define this in gaussian 16...

30 July 2023 1,437 3 View