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The enumeration of reaction pathways using Burnside's lemma

Formulas are given for the number and statistical weights of reaction pathways from one molecular conformation to another via a given transition state. Arbitrary mechanistic assumptions can be incorporated into this enumeration. These formulas arise as straightforward generalizations of an expressio... Full description

Journal Title: Theoretica chimica acta 1983, Vol.63(3), pp.195-207
Main Author: McLarnan, Timothy
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: ISSN: 0040-5744 ; E-ISSN: 1432-2234 ; DOI: 10.1007/BF00569245
Link: http://dx.doi.org/10.1007/BF00569245
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recordid: springer_jour10.1007/BF00569245
title: The enumeration of reaction pathways using Burnside's lemma
format: Article
creator:
  • McLarnan, Timothy
subjects:
  • Combinatorics
  • Reaction pathways
  • Burnside's lemma
  • Double cosets
ispartof: Theoretica chimica acta, 1983, Vol.63(3), pp.195-207
description: Formulas are given for the number and statistical weights of reaction pathways from one molecular conformation to another via a given transition state. Arbitrary mechanistic assumptions can be incorporated into this enumeration. These formulas arise as straightforward generalizations of an expression for the number of double cosets in any group, which can be proven in one line using Burnside's lemma.
language: eng
source:
identifier: ISSN: 0040-5744 ; E-ISSN: 1432-2234 ; DOI: 10.1007/BF00569245
fulltext: fulltext
issn:
  • 1432-2234
  • 14322234
  • 0040-5744
  • 00405744
url: Link


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subjectCombinatorics ; Reaction pathways ; Burnside's lemma ; Double cosets
descriptionFormulas are given for the number and statistical weights of reaction pathways from one molecular conformation to another via a given transition state. Arbitrary mechanistic assumptions can be incorporated into this enumeration. These formulas arise as straightforward generalizations of an expression for the number of double cosets in any group, which can be proven in one line using Burnside's lemma.
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titleThe enumeration of reaction pathways using Burnside's lemma
descriptionFormulas are given for the number and statistical weights of reaction pathways from one molecular conformation to another via a given transition state. Arbitrary mechanistic assumptions can be incorporated into this enumeration. These formulas arise as straightforward generalizations of an expression for the number of double cosets in any group, which can be proven in one line using Burnside's lemma.
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abstractFormulas are given for the number and statistical weights of reaction pathways from one molecular conformation to another via a given transition state. Arbitrary mechanistic assumptions can be incorporated into this enumeration. These formulas arise as straightforward generalizations of an expression for the number of double cosets in any group, which can be proven in one line using Burnside's lemma.
copBerlin/Heidelberg
pubSpringer-Verlag
doi10.1007/BF00569245
pages195-207
date1983-05