Farhina Abid

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Questions related from Farhina Abid

What type of organic molecules are suitable for fabrication of OTFT (Organic thin film transistor )device ?

I am designing some donor-acceptor-acceptor type compound . I am check their electron mobility and the nature of organic semiconductor either n-type or p-type. what type of organic semiconducting...

02 April 2024 1,473 0 View

How to construct stacking of two molecules in gausaain ?

for detetmining charge mobility i need the values of D(diffusion co-efficent). To detetmind D by using D=1/2d2k how to determind d (spece between two molecule) and k(charge hopping rate).

14 June 2023 4,177 0 View

Why optimizing compound having two thiophene ring with -CN, -CF3 group with 6-31g+(d,p)in DFT convergence error occurs?

While optimizing compound having two thiophene ring with -CN, -CF3 group with 6-31g+(d,p)in DFT convergence error occurs. I try all possible method for optimization. But it not done yet. Can...

06 February 2023 9,079 2 View

What will be the value of substitution constant i.e hemmett constant for thioacelty (-CSCH3) group

I don't found strand substitution constant value for thioacelty. How to determine substitution constant i.e hemmett constant for thioacelty (-CSCH3) group by DFT analysis.

01 January 1970 4,086 0 View