Subject: Effective diameters

From: "mario citra" <[email-masked]>
Date: Fri, 4 Jun 1999 13:55:23 -0400

I am trying to calculate the largest, effective second largest and effective
smallest diameters of molecules in a three-dimensional Cartesian coordinate
system.  The concept of these diameters was discussed in Schuurmann;
Environ. Toxicol. Chem. 9: 417-428 (1990) and in Opperhuizen et al;
Chemosphere 14: 1871-1896 (1985).  Unfortunately, no method of calculating
these diameters were published.  

Is anyone familiar with these diameters and know how to systematically
calculate them?
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* Mario J. Citra  PhD		 *
* Syracuse Research Corporation	 *
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