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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Main Authors:	Patrizia Rossi, Paolo Dapporto, Paola Paoli, Annalisa Guerri
格式:	Online
出版:	Firenze University Press 2021
主題:	QC1-999 Chimica Informatica Sito web scientifico thema EDItEUR::P Mathematics and Science::PH Physics
在線閱讀:	49308
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