Subject: Summary: references and suggestions on theoretical ET study

From: [email-masked] (Ping Lin)
Date: Fri, 05 Feb 1999 10:40:23 -0600

Hi,

Here is the summary for my question about the references on ET study,
only two responses point out some, a lot less than I expected. If any
one still have other suggestion, I would be very happy to summarize
again.

Thanks,

Ping Lin

Response 1:
----
Nicolas FERRE
Laboratoire de Chimie Theorique
Universite Henri Poincare Nancy 1
BP 239                                   E-mail : [email-masked]
54506 VANDOEUVRE-LES-NANCY Cedex
_______________
If you would consider some dynamical properties of quantum particle as
electron
transfer, I suggest you to read some papers of Bala. He solves
time-dependant
Shrodinger equation for a quantum particle in a time-independant
potential given
by hybrid quantum-classical or pure quantum method (Valence Bond).

Here is some references :

* P. Bala, P. Grochowski, B. Lesyng and J.A. McCammon
  "Quantum-Classical Molecular Dynamics. Models and Applications"
  in "Quantum Mechanical simulation methods for studying biological
systems"
  (1995) Springer

* P. Bala, P. Grochowski, B. Lesyng and J.A. McCammon
  "Quantum-Classical Molecular Dynamics of Proton Transfer Processes in
   Molecular Complexes and in Enzymes" J.Phys.Chem., 100 (7) 2535-2545

Response 2:
------
Wai-To Chan
Department of Chemistry
York University, Toronto
Ontario, Canada
________________

   Here is a recent paper about electron transfer study I happen to know

of.

"Electron tunneling in quasi-one-dimensional resonant molecular
 systems. Ab initio study."
Heifets, Daizadeh, Guo and Alexei A. Stuchebrukhov
Journal of physcial chemistry, vol 102, pg 2847 (1998).

----------------------------------
Thanks to all those responsed.