From owner-chemistry@ccl.net Tue Jul 30 00:36:00 2019
From: "Hadi Dinpajooh dinpajooh|-|gmail.com" <owner-chemistry-,-server.ccl.net>
To: CCL
Subject: CCL: What it does mean the negative value of reorganization energy?
Message-Id: <-53808-190729221126-15941-Sn8pi/0nunbLS8NzEJnLuQ-,-server.ccl.net>
X-Original-From: Hadi Dinpajooh <dinpajooh,+,gmail.com>
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Date: Mon, 29 Jul 2019 22:11:08 -0400
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Sent to CCL by: Hadi Dinpajooh [dinpajooh:-:gmail.com]
Please review the book titled "Chemical Dynamics in Condensed Phases"
by Prof. Abraham Nitzan. In particular, please see Eqs. 16.4, 16.48,
16.49. 16.58, 16.59, and 16.60, which discuss the reorganization
energies.

Thanks,
Hadi Dinpajooh

On Mon, Jul 29, 2019 at 7:36 PM Mo Fateh mo.fateh() yahoo.com
<owner-chemistry##ccl.net> wrote:
>
>
> Sent to CCL by: "Mo  Fateh" [mo.fateh() yahoo.com]
> Dear Members,
>
> I calculated the reorganization energy of an organic molecule and I have a
> couple of questions:
>
> 1- The lambda hole and lambda charge are negative values. I do not observe
> such negative value in literature. What the negative values do mean?
>
> 2- The value of lambda hole and lambda charge are too small than that
> published in literature i.e., -0.0168711 and -0.001932, respectively. Are
> these value normal?
>
> With thanks,
> Mo>
>