P.U. Neenu Krishna

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Questions related from P.U. Neenu Krishna

How to solve transformation not found error in ADF package in the calculation of charge transfer integrals?

I am using the ccdc files as input

31 October 2023 7,634 1 View

How to calculate crystal structure of organic semiconductors from the crystal structures?

Can anyone suggest me how to calculate charge transfer integral of organic semiconductors having crystal data available in CCDC, using material studio or any other free softwares

30 October 2023 3,724 1 View