Molecular dynamics program
Dear CCL: I got the following e-mail from a friend of mine whose research
interests is in the field of electrochemistry. Your help is most appreicated.
Adel El-Azhary
Department of Chemistry
Faculty of Science
Cairo University
Giza, Egypt
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Dear Azhari:
I am asking your help regarding our recent research. We are
currently studying the adsorption of some hetero(arylene)s, which
are specifically: thiophenes, furans, pyrroles and their derivatives
at some solid surfaces. We are also studying the effect of the
substituents on the rings and the mode of adsorption of these moities
at the Fe, Al and steel surfaces. We are requesting a
molecular dynamic program that will allow us of studying the
interactions at the surface and simulating the configuration of the
adsorbed molecules. We prefer that the program to be free.
Can I also get any informations regarding the ZINDO program and
whether it can be used in our study.
Thank you for your help. Best personal regards.
Sincerely,
Ahmed