Subject: C20..C540 energies linear?

From: Angela Kleinova <[email-masked]>
Date: Thu, 2 Jun 1994 13:21:27 +0200 (MET DST)

dear CCL netters,
-----------------
	sorry to trouble you, but:
in the recent article bakowies & thiel (JACS vol.113, p.3704 (1991))
calculated MNDO energies (or heats of formation) up to the C(540)
carbon cluster, starting from C(20) (as far as I remember). Dependence:

		delta_H_subscript_f = a*N + b

where N is # of carbon atoms, is almost linear. But why the b is not zero?
thanX for all who reply to me ;-)

+-----------------------------------------------------------------------+
+ Angela Kleinova 							+
+ Polymer Institute							+
+ Slovak Academy of Sciences                 Tel: ++42 +7 378 2252	+
+ Dubravska cesta 9, 842 28 Bratislava       Fax: ++42 +7 378 2192	+
+ Slovak Republic                         E-mail: [email-masked]	+
+ EUROPE                                                                +
+-----------------------------------------------------------------------+
    		       	           ,,,
                                  (o o)
+-----------------------------oOO--(_)--OOo-----------------------------+
+ And all this science I don't understand, it's just my work for 5 days +
+ a week ...
+-----------------------------------------------------------------------+