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Is there any reference from where I can access the code used in Multiwfn to compute the electrostatic potential (ESP)?
If yes, can I get access to the codes or the algorithm used in the code.
How to calculate the electron density distribution for each Molecular orbitals of dianion Oxygen atom using B3LYP in Gaussian03 and multiwfn?
I ultimately need to calculate the electrostatic potential between the monoanion oxygen and the electron present at certain "r" distance. I need the quantitative values and a 3d plot of the potential generated as "r" changes in the 3D space.
Pages: 1