Subject: Re:CCL Polymer Chemistry Programs

From: [email-masked] (Phillipe Camelio)
Date: Thu, 11 Jul 1996 16:17:20 +22324924 (CDT)

Hi,

There is 2 programs included in InsightII (MSI) (separated license)

1/ QSPR : based on Van Krevelen Approach (i.e. Group Additve)

2/ Synthia : based on topology of the monomer structure (Bicerano)

For more details :

@book{Bicerano1,
   author    = {J.  Bicerano},
   title     = {Computational Modeling of Polymers},
   year      = {1992},
   publisher = {M. Dekker, Inc.},
   address   = {New--York},
   note      = {ISBN--0824784383},
}

@book{Krevelen1,
   author    = {D.W.  van~Krevelen},
   title     = {Properties of Polymers: Their Correlation with Chemical
 Structure; 
Their Numerical Estimation and Prediction from Additive Group Contributions};
   year      = {1990},
   publisher = {Elsevier},
   address   = {Amsterdam; New--York},
   edition   = {3rd},
   note      = {ISBN--0444881603},
}

Rem : a more recent version of Bicerano Book exists (1996)
or will be available for the end of the year

Philippe Camelio
Lab. de Stereochimie, Marseille, France
E-mail: [email-masked]
WWW   : http://www.u-3mrs.fr/people/PCamelio