calculation of J-couplings from geometries

From: Yael S. Balazs <balazs_at_techunix.technion.ac.il>
Date: Thu, 13 Feb 2003 12:07:41 +0200

Hi Spinlanders,

I am looking to input relative 1H geometries and to get an output of their
J-couplings.

Currently I look to Williams and Fleming's Spectroscopic Methods in Organic
Chemistry, Tables of chapter 3, and I get a range of possibilities.

What databases / computer simulations are you using (or recommending) to get
refined expected J-values?

Sincerely,
Yael

-- 
Yael S. Balazs
NMR Facility Manager
Faculty of Chemistry
Technion - Israel Institute of Technology
Haifa, Israel 32000
office phone/messages: +972-4-829-3748
lab phone: +972-4-829-4919
departmental fax: +972-4-823-3735
email: balazs_at_tx.technion.ac.il

Received on Fri Feb 14 2003 - 10:14:57 MST