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Structural and topological complexity of zeolites: An information-theoretic analysis. / Krivovichev, S.V.

в: Microporous and Mesoporous Materials, Том 171, 2013, стр. 223-229.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Krivovichev, SV 2013, 'Structural and topological complexity of zeolites: An information-theoretic analysis', Microporous and Mesoporous Materials, Том. 171, стр. 223-229. https://doi.org/10.1016/j.micromeso.2012.12.030

APA

Krivovichev, S. V. (2013). Structural and topological complexity of zeolites: An information-theoretic analysis. Microporous and Mesoporous Materials, 171, 223-229. https://doi.org/10.1016/j.micromeso.2012.12.030

Vancouver

Krivovichev SV. Structural and topological complexity of zeolites: An information-theoretic analysis. Microporous and Mesoporous Materials. 2013;171:223-229. https://doi.org/10.1016/j.micromeso.2012.12.030

Author

Krivovichev, S.V. / Structural and topological complexity of zeolites: An information-theoretic analysis. в: Microporous and Mesoporous Materials. 2013 ; Том 171. стр. 223-229.

BibTeX

@article{8af30da9dafb4a6dafdf0fd3dbfad0ab,
title = "Structural and topological complexity of zeolites: An information-theoretic analysis",
abstract = "Shannon information theory is applied to the quantitative evaluation of topological and structural complexity of zeolite frameworks. Within this approach, content of the reduced unit cell volume is considered as a message with atoms as symbols. Two atoms are considered equivalent, if they belong to the same crystallographic orbit. The framework complexity is characterized by its total topological information content, IG,total. Topological complexity parameters are calculated for the 201 zeolite structure types listed in the International Zeolite Association Zeolite Structure Database. On the basis of the proposed complexity measures, zeolite frameworks can be classified into very simple, simple, intermediate, complex, and very complex. The six most complex zeolite frameworks are [IG,total in bits]: SFV [19557.629], ITV [2825.097], IMF [2614.111], CLO [2413.449], and LTN [2285.985]. The six simplest zeolite frameworks are: SOD [16.529], BCT [19.020], ABW [23.020], NPO [28.529], EDI and NAB [32.603]. The sodali",
author = "S.V. Krivovichev",
year = "2013",
doi = "10.1016/j.micromeso.2012.12.030",
language = "English",
volume = "171",
pages = "223--229",
journal = "Microporous and Mesoporous Materials",
issn = "1387-1811",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Structural and topological complexity of zeolites: An information-theoretic analysis

AU - Krivovichev, S.V.

PY - 2013

Y1 - 2013

N2 - Shannon information theory is applied to the quantitative evaluation of topological and structural complexity of zeolite frameworks. Within this approach, content of the reduced unit cell volume is considered as a message with atoms as symbols. Two atoms are considered equivalent, if they belong to the same crystallographic orbit. The framework complexity is characterized by its total topological information content, IG,total. Topological complexity parameters are calculated for the 201 zeolite structure types listed in the International Zeolite Association Zeolite Structure Database. On the basis of the proposed complexity measures, zeolite frameworks can be classified into very simple, simple, intermediate, complex, and very complex. The six most complex zeolite frameworks are [IG,total in bits]: SFV [19557.629], ITV [2825.097], IMF [2614.111], CLO [2413.449], and LTN [2285.985]. The six simplest zeolite frameworks are: SOD [16.529], BCT [19.020], ABW [23.020], NPO [28.529], EDI and NAB [32.603]. The sodali

AB - Shannon information theory is applied to the quantitative evaluation of topological and structural complexity of zeolite frameworks. Within this approach, content of the reduced unit cell volume is considered as a message with atoms as symbols. Two atoms are considered equivalent, if they belong to the same crystallographic orbit. The framework complexity is characterized by its total topological information content, IG,total. Topological complexity parameters are calculated for the 201 zeolite structure types listed in the International Zeolite Association Zeolite Structure Database. On the basis of the proposed complexity measures, zeolite frameworks can be classified into very simple, simple, intermediate, complex, and very complex. The six most complex zeolite frameworks are [IG,total in bits]: SFV [19557.629], ITV [2825.097], IMF [2614.111], CLO [2413.449], and LTN [2285.985]. The six simplest zeolite frameworks are: SOD [16.529], BCT [19.020], ABW [23.020], NPO [28.529], EDI and NAB [32.603]. The sodali

U2 - 10.1016/j.micromeso.2012.12.030

DO - 10.1016/j.micromeso.2012.12.030

M3 - Article

VL - 171

SP - 223

EP - 229

JO - Microporous and Mesoporous Materials

JF - Microporous and Mesoporous Materials

SN - 1387-1811

ER -

ID: 7405698