vilab
Vladislav Ivanistsev's lab
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LOKT.02.048
LOKT.02.048 PublicDFT calculations and MD simulations in (electro)chemistry
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potentialFromDDEC
potentialFromDDEC PublicA script that calculates the potential drop, dipole correction and creates figures from the DDEC6 surface charges
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- potentialFromDDEC Public
A script that calculates the potential drop, dipole correction and creates figures from the DDEC6 surface charges
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