Investigating CO2 uptake in Sc2BDC3 using XRD, ab initio DFT and GCMC methods

Jonathan Richardson, Jorge Sotelo, Stephen Moggach, Jamie McHardy, Carole Morrison, Tina Duren, Paul Wright

Research output: Contribution to journal › Meeting abstract › peer-review

Original language	English
Pages (from-to)	E71-E72
Number of pages	2
Journal	Acta Crystallographica Section A: Foundations and Advances
Volume	74
DOIs	https://doi.org/10.1107/S2053273318094147
Publication status	Published - Aug 2018

Keywords / Materials (for Non-textual outputs)

@article{68a93ab8ac704c8ea3686a343c0b5867,

title = "Investigating CO2 uptake in Sc2BDC3 using XRD, ab initio DFT and GCMC methods",

keywords = "MOF, XRD, computation",

author = "Jonathan Richardson and Jorge Sotelo and Stephen Moggach and Jamie McHardy and Carole Morrison and Tina Duren and Paul Wright",

year = "2018",

month = aug,

doi = "10.1107/S2053273318094147",

language = "English",

volume = "74",

pages = "E71--E72",

journal = "Acta Crystallographica Section A: Foundations and Advances",

issn = "2053-2733",

publisher = "Wiley",

}

TY - JOUR

T1 - Investigating CO2 uptake in Sc2BDC3 using XRD, ab initio DFT and GCMC methods

AU - Richardson, Jonathan

AU - Sotelo, Jorge

AU - Moggach, Stephen

AU - McHardy, Jamie

AU - Morrison, Carole

AU - Duren, Tina

AU - Wright, Paul

PY - 2018/8

Y1 - 2018/8

KW - MOF

KW - XRD

KW - computation

U2 - 10.1107/S2053273318094147

DO - 10.1107/S2053273318094147

M3 - Meeting abstract

SN - 2053-2733

VL - 74

SP - E71-E72

JO - Acta Crystallographica Section A: Foundations and Advances

JF - Acta Crystallographica Section A: Foundations and Advances

ER -