Journal of the American Chemical Society, volume 145, issue 6, pages 3515-3525

Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials

Yizhi Xu ¹

Joseph Marrett ²

Hatem M. Titi ²

James Darby ³

Andrew J Morris ⁴

Tomislav Friscic ^{2, 5}

Mihails Arhangelskis ¹

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Faculty of Chemistry, University of Warsaw; 1 Pasteura Street, Warsaw 02-093, Poland |

Department of Chemistry, McGill University; 801 Sherbrooke Street West, Montréal, Québec H3A 0B8, Canada

Department of Engineering, University of Cambridge; Trumpington Street, Cambridge CB2 1PZ, UK |

⁴

School of Metallurgy and Materials, University of Birmingham; Edgbaston, Birmingham B15 2TT, UK |

⁵

School of Chemistry, University of Birmingham; Edgbaston, Birmingham B15 2TT, UK |

Publication type: Journal Article

Publication date: 2023-01-31

American Chemical Society (ACS)

Journal: Journal of the American Chemical Society

scimago Q1

SJR: 5.489

CiteScore: 24.4

Impact factor: 14.4

ISSN: 00027863, 15205126

DOI: 10.1021/jacs.2c12095

Copy DOI

PubMed ID: 36719794

General Chemistry

Catalysis

Biochemistry

Colloid and Surface Chemistry

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Publisher

American Chemical Society (ACS)

Journal

Journal of the American Chemical Society

scimago Q1

SJR

5.489

CiteScore

24.4

Impact factor

14.4

ISSN

00027863 (Print)

15205126 (Electronic)

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Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials

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