Subject: Near-infrared spectra

From: Bernd Engels <[email-masked]>
Date: Thu, 06 Dec 2001 19:19:31 +0100

Dear all,

somebody I know would like to predict / calculate the near-infrared
spectra (vibrational overtone absorption) of some molecules (glucose,
lactic acid, urea and ascorbic acid) in aqueous solution, preferable in
relation to the temperature and the concentration.
So far she only found a paper on this topic (C.E. Wozny, et al. J. Near
Infrared Spectrosc. 8, 133-150 (2000).

Has anybody experience with this kind of calculations or can give
information about useful papers or even better programs?

We will review

Bernd Engels
-- 
Prof. Dr. Bernd Engels
Institut für Organische Chemie, 
Universität Würzburg
Am Hubland
97074 Würzburg 
Germany

Phone : (0049) (0)931-888-5394
Fax   : (0049) (0)931-888-4606
e-mail: [email-masked]