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volume 9 issue 4 pages 1022-1030

Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure

Publication typeJournal Article
Publication date2018-01-01
scimago Q1
wos Q1
SJR2.138
CiteScore12.6
Impact factor7.4
ISSN20416520, 20416539
PubMed ID:  29675149
General Chemistry
Abstract

The standard paradigm in computational materials science is INPUT: Structure; OUTPUT: Properties, which has yielded many successes but is ill-suited for exploring large areas of chemical and configurational hyperspace.

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GOST |
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GOST Copy
Davies D. W. et al. Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure // Chemical Science. 2018. Vol. 9. No. 4. pp. 1022-1030.
GOST all authors (up to 50) Copy
Davies D. W., Butler K., Skelton J. M., Xie C., Oganov A. R., Walsh A. Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure // Chemical Science. 2018. Vol. 9. No. 4. pp. 1022-1030.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1039/c7sc03961a
UR - https://doi.org/10.1039/c7sc03961a
TI - Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure
T2 - Chemical Science
AU - Davies, Daniel W
AU - Butler, Keith
AU - Skelton, Jonathan M.
AU - Xie, Congwei
AU - Oganov, A. R.
AU - Walsh, Aron
PY - 2018
DA - 2018/01/01
PB - Royal Society of Chemistry (RSC)
SP - 1022-1030
IS - 4
VL - 9
PMID - 29675149
SN - 2041-6520
SN - 2041-6539
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2018_Davies,
author = {Daniel W Davies and Keith Butler and Jonathan M. Skelton and Congwei Xie and A. R. Oganov and Aron Walsh},
title = {Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure},
journal = {Chemical Science},
year = {2018},
volume = {9},
publisher = {Royal Society of Chemistry (RSC)},
month = {jan},
url = {https://doi.org/10.1039/c7sc03961a},
number = {4},
pages = {1022--1030},
doi = {10.1039/c7sc03961a}
}
MLA
Cite this
MLA Copy
Davies, Daniel W., et al. “Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure.” Chemical Science, vol. 9, no. 4, Jan. 2018, pp. 1022-1030. https://doi.org/10.1039/c7sc03961a.