The UTN program

dc.contributor.author	Patrizia Rossi	*
dc.contributor.author	Paolo Dapporto	*
dc.contributor.author	Paola Paoli	*
dc.contributor.author	Annalisa Guerri	*
dc.date.accessioned	2021-02-12T07:17:22Z
dc.date.available	2021-02-12T07:17:22Z
dc.date.issued	2001	*
dc.date.submitted	2020-11-10 16:25:57	*
dc.identifier	49308	*
dc.identifier.uri	https://directory.doabooks.org/handle/20.500.12854/61810
dc.description.abstract	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.	*
dc.relation.ispartofseries	Electronica	*
dc.subject	QC1-999	*
dc.subject.classification	thema EDItEUR::P Mathematics and Science::PH Physics	en_US
dc.subject.other	Chimica	*
dc.subject.other	Informatica	*
dc.subject.other	Sito web scientifico	*
dc.title	The UTN program	*
dc.type	book
oapen.identifier.doi	10.36253/88-8453-032-6	*
oapen.relation.isPublishedBy	2ec4474d-93b1-4cfa-b313-9c6019b51b1a	*
oapen.relation.isbn	8884530326	*
oapen.volume	5	*

Fichier(s) constituant ce document

Fichiers	Taille	Format	Vue
Il n'y a pas de fichiers associés à ce document.

Excepté là où spécifié autrement, la license de ce document est décrite en tant que https://creativecommons.org/licenses/by-nd/4.0/