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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Bibliografske podrobnosti
Main Authors: Patrizia Rossi, Paolo Dapporto, Paola Paoli, Annalisa Guerri
Format: Online
Izdano: Firenze University Press 2021
Teme:
Online dostop:49308
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