Devyesh Rana

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Questions related from Devyesh Rana

How can one calculate Gibbs energy and entropy in ab initio molecules dynamics?

Hello, I've been investigating a bunch of monomers which spontaneously react in water to form a polymer. I would like to know how to calculate the thermodynamics of such a system. On the surface,...

19 November 2020 5,768 3 View

How can one decide on solvent/nonsolvent/polymer combinations for creating porous polymers?

Is there a systematic way of approaching this problem or are most researchers using guess & test or intuition?

11 September 2018 5,650 2 View