Hi!
I saw in many papers the electron density maps that show for example; the electron density transfer between the hydrogen bond acceptors and donors and also the maps showing the polarization of the electron density in hydrogen-bonding complexes with reference to their free monomers.
Please I need your help to show me how to obtain theme using Gaussian and GaussView programs.
Thank you!
The difference in electron density between the complex and free monomer may be drawn using Gaussian and Multiwfn computer program (http://Multiwfn.codeplex.com), see example in Software Manual, p. 236, ("Plot difference map of electron density to study electron transfer of imidazole coordinated magnesium porphyrin").
Dear Rachida,
Generally, I draw electron density map using Molden program (free-down load program). This program reads the output generated from G 09 and there is an option in the program that allows you to draw such parameters.
Hoping this will be helpful,
Rafik
Thank you so much Rafik for your answer. But my question was about the difference in electron density between the complex and free monomers.
The difference in electron density between the complex and free monomer may be drawn using Gaussian and Multiwfn computer program (http://Multiwfn.codeplex.com), see example in Software Manual, p. 236, ("Plot difference map of electron density to study electron transfer of imidazole coordinated magnesium porphyrin").
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