I have visualized MEP for NaCl (molecule) in Spartan and in Jmol). In
Spartan, I see MEP mapped on a density surface that correspond to the
expectation of ionic sizes (Na+ small, Cl- big). In Jmol, MEP is mapped
on what appears to be a molecular surface matching atomic sizes (Na big,
Cl
Betreff: [Jmol-users] MEP questions
I have visualized MEP for NaCl (molecule) in Spartan and in Jmol). In
Spartan, I see MEP mapped on a density surface that correspond to the
expectation of ionic sizes (Na+ small, Cl- big). In Jmol, MEP is
mapped
on what appears to be a molecular surface
for the isosurface comand, have you
tried that?
http://chemapps.stolaf.edu/jmol/docs/#isosurface
Alex
- Ursprüngliche Mail -
Von: Pshemak Maslak n...@psu.edu
An: jmol-users@lists.sourceforge.net
Gesendet: Dienstag, 11. Februar 2014 16:19:44
Betreff: [Jmol-users] MEP questions
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