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EROS - Elaboration of Reactions for Organic Synthesis | |
Description The course of a chemical reaction and its products are predicted for given starting materials. For over 20 years we have been developing the EROS system. In the present version, EROS 7.0, the knowledge base and the problem solving techniques are clearly separated. The knowledge base consists of methods for calculating important electronic and energy effects in organic molecules, as well as of rules for evaluating the course of elementary chemical processes. Online Demo Simulate the degradation of s-triazines in soil. Publications J. Gasteiger,A. Herwig Manual The manual is available in HTML or PDF format. Slide Show A collection of slides shows used at recent lectures:
Contact Dr. Achim Herwig |
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