A possible construction of a complex chemical reaction network: I. Definitions and procedure for construction

István Nemes, T. Vidóczy, László Botár, Dezsö Gál

Research output: Contribution to journalArticle

Abstract

A procedure is suggested for the construction of chemical reaction networks. We define the kinetic communication as a transfer of atoms or atomic groups between two species and determine all the kinetic communications occurring in the possible mechanism of a complex chemical process. The set of kinetic communications is the basis of the communication matrices resulting in the complete network of the overall reaction. Limiting the consideration for certain types of kinetic communications we obtain the reaction subnetworks and selecting arbitrarily species among those participating in the possible mechanism we introduced the concept of the partial subnetworks which correspond to subsets of the complete network. By the simple analysis of the subnetworks it is easy to obtain the sequence network indicating the pathways via which the selected species are formed in the course of the overall process, by the transfer of chosen atoms or atomic groups.

Original languageEnglish
Pages (from-to)215-223
Number of pages9
JournalTheoretica Chimica Acta
Volume45
Issue number3
DOIs
Publication statusPublished - Jan 1 1977

Fingerprint

Chemical Phenomena

Keywords

  • Kinetic communication
  • Reaction network, complex chemical ∼

ASJC Scopus subject areas

  • Chiropractics

Cite this

A possible construction of a complex chemical reaction network : I. Definitions and procedure for construction. / Nemes, István; Vidóczy, T.; Botár, László; Gál, Dezsö.

In: Theoretica Chimica Acta, Vol. 45, No. 3, 01.01.1977, p. 215-223.

Research output: Contribution to journalArticle

@article{ae075da126e84f9ba45e3cadb826f79b,
title = "A possible construction of a complex chemical reaction network: I. Definitions and procedure for construction",
abstract = "A procedure is suggested for the construction of chemical reaction networks. We define the kinetic communication as a transfer of atoms or atomic groups between two species and determine all the kinetic communications occurring in the possible mechanism of a complex chemical process. The set of kinetic communications is the basis of the communication matrices resulting in the complete network of the overall reaction. Limiting the consideration for certain types of kinetic communications we obtain the reaction subnetworks and selecting arbitrarily species among those participating in the possible mechanism we introduced the concept of the partial subnetworks which correspond to subsets of the complete network. By the simple analysis of the subnetworks it is easy to obtain the sequence network indicating the pathways via which the selected species are formed in the course of the overall process, by the transfer of chosen atoms or atomic groups.",
keywords = "Kinetic communication, Reaction network, complex chemical ∼",
author = "Istv{\'a}n Nemes and T. Vid{\'o}czy and L{\'a}szl{\'o} Bot{\'a}r and Dezs{\"o} G{\'a}l",
year = "1977",
month = "1",
day = "1",
doi = "10.1007/BF02401402",
language = "English",
volume = "45",
pages = "215--223",
journal = "Theoretical Chemistry Accounts",
issn = "1432-881X",
publisher = "Springer New York",
number = "3",

}

TY - JOUR

T1 - A possible construction of a complex chemical reaction network

T2 - I. Definitions and procedure for construction

AU - Nemes, István

AU - Vidóczy, T.

AU - Botár, László

AU - Gál, Dezsö

PY - 1977/1/1

Y1 - 1977/1/1

N2 - A procedure is suggested for the construction of chemical reaction networks. We define the kinetic communication as a transfer of atoms or atomic groups between two species and determine all the kinetic communications occurring in the possible mechanism of a complex chemical process. The set of kinetic communications is the basis of the communication matrices resulting in the complete network of the overall reaction. Limiting the consideration for certain types of kinetic communications we obtain the reaction subnetworks and selecting arbitrarily species among those participating in the possible mechanism we introduced the concept of the partial subnetworks which correspond to subsets of the complete network. By the simple analysis of the subnetworks it is easy to obtain the sequence network indicating the pathways via which the selected species are formed in the course of the overall process, by the transfer of chosen atoms or atomic groups.

AB - A procedure is suggested for the construction of chemical reaction networks. We define the kinetic communication as a transfer of atoms or atomic groups between two species and determine all the kinetic communications occurring in the possible mechanism of a complex chemical process. The set of kinetic communications is the basis of the communication matrices resulting in the complete network of the overall reaction. Limiting the consideration for certain types of kinetic communications we obtain the reaction subnetworks and selecting arbitrarily species among those participating in the possible mechanism we introduced the concept of the partial subnetworks which correspond to subsets of the complete network. By the simple analysis of the subnetworks it is easy to obtain the sequence network indicating the pathways via which the selected species are formed in the course of the overall process, by the transfer of chosen atoms or atomic groups.

KW - Kinetic communication

KW - Reaction network, complex chemical ∼

UR - http://www.scopus.com/inward/record.url?scp=85047692853&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85047692853&partnerID=8YFLogxK

U2 - 10.1007/BF02401402

DO - 10.1007/BF02401402

M3 - Article

AN - SCOPUS:85047692853

VL - 45

SP - 215

EP - 223

JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

SN - 1432-881X

IS - 3

ER -