From owner-chemistry "-at-" ccl.net Sun Sep 27 19:52:00 2015 From: "Fredrick Mutunga fredrick.mutunga..gmail.com" To: CCL Subject: CCL: Fitting IRC data to a polynomial function Message-Id: <-51780-150927194959-13449-3KlqE70DYSw7prTvFdNVUw[]server.ccl.net> X-Original-From: Fredrick Mutunga Content-Type: multipart/alternative; boundary=001a113eca2ed325a10520c33cd0 Date: Sun, 27 Sep 2015 17:49:54 -0600 MIME-Version: 1.0 Sent to CCL by: Fredrick Mutunga [fredrick.mutunga-x-gmail.com] --001a113eca2ed325a10520c33cd0 Content-Type: text/plain; charset=UTF-8 Hello Fellow CCL Members, I want to fit an IRC data points attached to a polynomial form to get a potential function which I intent to use in calculating WKB barrier penetration integral. I have tried several simple polynomials forms up to 5th order including some exponentials using Mathematica's NonLinearModelFit but non of them seem to work! Does any of you guys have an idea what kind of form I should be trying? Thanks Fred --001a113eca2ed325a10520c33cd0 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hello  Fellow CCL Members,

I want to fit an IRC data points attached to a polynomial form to get a pot=
ential function which I intent to use in calculating WKB barrier penetratio=
n integral. I have tried several simple polynomials forms up to 5th order i=
ncluding some exponentials using Mathematica's NonLinearModelFit but no=
n of them seem to work!
Does any of you guys have an idea what kind of form I should be trying?

Thanks

Fred
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