Quantum algebraic - Combinatoric study of the conformational properties of n-alkanes. II

G. Tasi, Fujio Mizukami, József Csontos, Werner Gyorffy, I. Pálinkó

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

In a previous paper we solved a well-defined subcase of the whole conformational enumeration problem of n-alkanes. This paper offers a general solution. Most probably the rules determining the sequences of the conformers slightly depend on the force field applied. Nevertheless, the methods presented here can be applied in every case.

Original languageEnglish
Pages (from-to)191-199
Number of pages9
JournalJournal of Mathematical Chemistry
Volume27
Issue number3
Publication statusPublished - Nov 2000

Fingerprint

Alkanes
Force Field
Combinatorics
General Solution
Paraffins
Enumeration
Well-defined

Keywords

  • Algebraic
  • Combinatoric results
  • Conformers
  • N-alkanes
  • Theoretical chemical rules

ASJC Scopus subject areas

  • Chemistry(all)
  • Applied Mathematics

Cite this

Quantum algebraic - Combinatoric study of the conformational properties of n-alkanes. II. / Tasi, G.; Mizukami, Fujio; Csontos, József; Gyorffy, Werner; Pálinkó, I.

In: Journal of Mathematical Chemistry, Vol. 27, No. 3, 11.2000, p. 191-199.

Research output: Contribution to journalArticle

Tasi, G. ; Mizukami, Fujio ; Csontos, József ; Gyorffy, Werner ; Pálinkó, I. / Quantum algebraic - Combinatoric study of the conformational properties of n-alkanes. II. In: Journal of Mathematical Chemistry. 2000 ; Vol. 27, No. 3. pp. 191-199.
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