From owner-chemistry&$at$&ccl.net Thu Sep 28 10:28:00 2006 From: "sareh mobalegh nasseri sareh_naseri__yahoo.com" To: CCL Subject: CCL: NQR Calculation Message-Id: <-32655-060928043751-24018-mv3ZBuBP7WDoYcWrkCQ2MA]![server.ccl.net> X-Original-From: "sareh mobalegh nasseri" Date: Thu, 28 Sep 2006 04:37:49 -0400 Sent to CCL by: "sareh mobalegh nasseri" [sareh_naseri|yahoo.com] Hi,everybody My problem is about DL-proline amino acid that exist as zwitterionic form. I have Performed NQR Calculation on the DL-Proline structures(monomer-dimer- trimer ......-octamer)to study Hydrogen bonding effects on the Oxygen, Nitrogen. Normaly, it expects QCC of atoms that participate in H-Bonding, from monomer to octamer , decrease but my results show revers trend for Nitrogen. please, let me know your idea about this problem. Thanks in advance, S.M.Nasseri sareh_naseri{:}yahoo.com Otto Diels Institute of Organic Chemistry Christian-Albrechts-Universitt zu Kiel Otto-Hahn-Platz 3 24098 Kiel room 201