CCL: basis set erroneous concept
- From: mohamed aish <mhmdaish(!)yahoo.com>
- Subject: CCL: basis set erroneous concept
- Date: Sat, 1 Dec 2007 03:35:34 -0800 (PST)
Hi
All;
I am a new in
computational chemistry field. Now, I am reading about the basis sets. There
are something confused me and would be
appreciative if anyone helps me to correct my erroneous concepts.
Suppose that we have a compound
containing carbons with
sp2 and sp3 hybridization, for example
CH3CH=CH2, and the basis set is 6-31G. Now my question is:
6-31G basis set for Csp3 is similar to 6-31G basis set for
Csp2. Is this right??!! Please correct my
concept.
Thanks a Lot
Be a better sports nut! Let your teams follow you
with Yahoo Mobile. Try it now.