The UTN program

We give an algorithm which goal is to find the energy barrier between a given pair of points in a graph which represents the conformational space of a molecule. If the conformational space is homeomorphic to an -dimensional torus, then the graph can be chosen of a particular form. The UTN software,...

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Bibliographic Details
Main Author: Patrizia Rossi (auth)
Other Authors: Paolo Dapporto (auth), Paola Paoli (auth), Annalisa Guerri (auth)
Format: Electronic Book Chapter
Language:No linguistic content
Published: Firenze University Press 2001
Series:Electronica
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