Re: CCL:Request for a code for Stone's distributed multipole analysis
- From: JING KONG <JKONG "-at-" ac.dal.ca>
- Subject: Re: CCL:Request for a code for Stone's distributed
multipole analysis
- Date: Thu, 31 Mar 1994 22:52:33 -0400
Hi,
I have a code which is just what you want: deriving atomic
multipole moments by cummulatively fitting molecular electrostatic potentials.
I have a paper on this subject:
"The effect of atomic multipole moments obtained by the potential dericed
method on hydrogen bonding", Int. J. Quant. Chem., Vol.46, 239(1993).
I have the source code at hand. It is very easy to use and I don't think
you need to do anything more than compiling. If you want to try, drop me
a line.
Best regards,
Jing Kong
Dalhousie
Canada