Summary of Benson rule programs



 Dear Netters:
 Several days ago I posed the following:
 "Do any programs exist which estimate thermochemical values from an input
  structure diagram using Benson's additivity rules (or any other scheme)?
  Gary Newton UGa E-MAIL newton ( ( at ) ) bscf.uga.edu"
 I received two viable replies, which follow:
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 Ed Ritter replied:
 	I have developed a (DOS) computer program called THERM which can
 be used to estimate thermodynamic properties for radicals and molecules.
 The program requires a math co-processor on all but 486 machines,
 and takes up about 1 Mb of space on the hard disk.
 Ed Ritter - Villanova Univ. e-mail  eritter ( ( at ) ) vill.edu
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 Horst Boegel replied:
 Dear CC- users,                                    1.3.1993
      GARY NEWTON asked :
 "Do any programs exist which estimate thermochemical values from an input
  structure diagram using Benson's additivity rules (or any other scheme)?
  Gary Newton UGa E-MAIL newton ( ( at ) ) bscf.uga.edu"
 Yes. We wrote a PC-program for handling chemical structures from a mouse-
      drawn structural formula with automatic generation of the Connection
      Table. From this CT we are able to calculate a lot of topological
      Indices. Up to now the BENSON's schema to predict the Heat of Formation
      and the Heat Capacity is included. At the moment the structural para-
      meters for hydrocarbons are implemented.
      More information from:
        Horst Boegel:    boegel ( ( at ) ) chemie.th-merseburg.dbp.de
 			or phone: +3461 46 2127 (Germany)
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