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The UTN program

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Dapporto, P.; Paoli, P.; Rossi, P.; Guerri, A.; 2001; The UTN program. Firenze, Firenze University Press.


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The UTN program

Paolo Dapporto
University of Florence, Italy

Paola Paoli
University of Florence, Italy - ORCID: 0000-0002-2408-4590

Patrizia Rossi
University of Florence, Italy

Annalisa Guerri
University of Florence, Italy - ORCID: 0000-0001-6265-7874


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Content licence CC BY-ND 4.0
Metadata licence CC0 1.0

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, which implements the algorithm in this case, is described in detail. Finally we focus on applications: to show how UTN works, some examples are carried on in detail, with the additional support of graphical animation1 in the twodimensional case. The source code of the program and some data of the examples are available to the reader.

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Anno di edizione: 2001

e-ISBN: 88-8453-032-6

DOI: 10.36253/88-8453-032-6

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Content licence: CC BY-ND 4.0
Metadata licence: CC0 1.0

Anno di edizione: 2001

DOI: 10.36253/88-8453-032-6

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© 2001 Author(s)
Content licence CC BY-ND 4.0
Metadata licence CC0 1.0

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