Molecular logic and computer assistance in chemistry

The current status of computer programs for the deductive solution of chemical problems on the basis of the theory of the BE and R matrices is discussed, with special emphasis on the newest generation of interactive problem-solving programs for small computers, i.e. the programs RAIN and a new version of IGOR. A new computer program PEMCD for the exact determination of chemical distance is presented. The essential modules of the logic-oriented computer programs, and their role in these programs is described, in particular the transition tables guided reaction generators TRG I and TRG II.

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