The UTN program

Export citation

Selected format

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


Distributori


Indici e aggregatori bibliometrici

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


FUP Scientific Cloud for Books

© 2001 Author(s)
Published by Firenze University Press

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.

Read more

Keywords: Chimica, Informatica, Sito web scientifico

Formats

Website

Publication year: 2001

e-ISBN: 88-8453-032-6

DOI: 10.36253/88-8453-032-6

View the website

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

PDF

Publication year: 2001

DOI: 10.36253/88-8453-032-6

XML

Publication year: 2001

e-ISBN: 978-88-9273-949-9

DOI: 10.36253/88-8453-032-6

Download XML

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

Featured books