Structural Chemistry

, том 32 , издание 2 , страницы 507-519

Simplify to understand: how to elucidate crystal structures?

Тип публикации: Journal Article

Дата публикации: 2021-01-05

Springer Nature

Structural Chemistry

SCImago Q3

WOS Q3

БС3

SJR: 0.365

CiteScore: 4.7

Impact factor: 2.3

ISSN: 10400400, 15729001

DOI: 10.1007/s11224-020-01724-4

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Physical and Theoretical Chemistry

Condensed Matter Physics

Краткое описание

We present a brief survey of rigorous algorithms for simplification of crystal structures, which are implemented into the program package ToposPro. The universality of the algorithms is illustrated by many examples from different classes of chemical compounds: intermetallics, ionic inorganic compounds, microporous frameworks, coordination polymers, and molecular crystals. We outline a number of tasks of crystal chemistry and design, which can be solved with the considered approaches.

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Journal of Molecular Structure	Journal of Molecular Structure, 11, 12.09% Journal of Molecular Structure 11 публикаций, 12.09%
Structural Chemistry	Structural Chemistry, 8, 8.79% Structural Chemistry 8 публикаций, 8.79%
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CrystEngComm	CrystEngComm, 6, 6.59% CrystEngComm 6 публикаций, 6.59%
Journal of Solid State Chemistry	Journal of Solid State Chemistry, 5, 5.49% Journal of Solid State Chemistry 5 публикаций, 5.49%
Crystal Growth and Design	Crystal Growth and Design, 5, 5.49% Crystal Growth and Design 5 публикаций, 5.49%
Dalton Transactions	Dalton Transactions, 4, 4.4% Dalton Transactions 4 публикации, 4.4%
Inorganic Chemistry Communication	Inorganic Chemistry Communication, 3, 3.3% Inorganic Chemistry Communication 3 публикации, 3.3%
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 2, 2.2% Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 2 публикации, 2.2%
Molecules	Molecules, 2, 2.2% Molecules 2 публикации, 2.2%
Polyhedron	Polyhedron, 2, 2.2% Polyhedron 2 публикации, 2.2%
Crystallography Reports	Crystallography Reports, 2, 2.2% Crystallography Reports 2 публикации, 2.2%
Solid State Sciences	Solid State Sciences, 2, 2.2% Solid State Sciences 2 публикации, 2.2%
Russian Chemical Bulletin	Russian Chemical Bulletin, 2, 2.2% Russian Chemical Bulletin 2 публикации, 2.2%
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Mineralogical Magazine	Mineralogical Magazine, 1, 1.1% Mineralogical Magazine 1 публикация, 1.1%
Nanomaterials	Nanomaterials, 1, 1.1% Nanomaterials 1 публикация, 1.1%
Russian Chemical Reviews	Russian Chemical Reviews, 1, 1.1% Russian Chemical Reviews 1 публикация, 1.1%
Chem	Chem, 1, 1.1% Chem 1 публикация, 1.1%
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SciPost Chemistry	SciPost Chemistry, 1, 1.1% SciPost Chemistry 1 публикация, 1.1%
ChemistryOpen	ChemistryOpen, 1, 1.1% ChemistryOpen 1 публикация, 1.1%
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MolBank	MolBank, 1, 1.1% MolBank 1 публикация, 1.1%
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Materials Today Chemistry	Materials Today Chemistry, 1, 1.1% Materials Today Chemistry 1 публикация, 1.1%
Journal of Crystal Growth	Journal of Crystal Growth, 1, 1.1% Journal of Crystal Growth 1 публикация, 1.1%
Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya	Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 1, 1.1% Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya 1 публикация, 1.1%
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	2 4 6 8 10 12

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Elsevier	Elsevier, 28, 30.77% Elsevier 28 публикаций, 30.77%
Pleiades Publishing	Pleiades Publishing, 13, 14.29% Pleiades Publishing 13 публикаций, 14.29%
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Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 12, 13.19% Royal Society of Chemistry (RSC) 12 публикаций, 13.19%
American Chemical Society (ACS)	American Chemical Society (ACS), 7, 7.69% American Chemical Society (ACS) 7 публикаций, 7.69%
MDPI	MDPI, 6, 6.59% MDPI 6 публикаций, 6.59%
International Union of Crystallography (IUCr)	International Union of Crystallography (IUCr), 4, 4.4% International Union of Crystallography (IUCr) 4 публикации, 4.4%
Wiley	Wiley, 4, 4.4% Wiley 4 публикации, 4.4%
Mineralogical Society	Mineralogical Society, 1, 1.1% Mineralogical Society 1 публикация, 1.1%
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 1, 1.1% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 1 публикация, 1.1%
Taylor & Francis	Taylor & Francis, 1, 1.1% Taylor & Francis 1 публикация, 1.1%
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	5 10 15 20 25 30

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Shevchenko A. P., Blatov V. A. Simplify to understand: how to elucidate crystal structures? // Structural Chemistry. 2021. Vol. 32. No. 2. pp. 507-519.

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Shevchenko A. P., Blatov V. A. Simplify to understand: how to elucidate crystal structures? // Structural Chemistry. 2021. Vol. 32. No. 2. pp. 507-519.

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