Open Access
Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
Тип публикации: Journal Article
Дата публикации: 2017-05-15
scimago Q1
wos Q1
БС1
SJR: 2.138
CiteScore: 12.6
Impact factor: 7.4
ISSN: 20416520, 20416539
PubMed ID:
28959416
General Chemistry
Краткое описание
Crystal structures of four new coumarin polymorphs were solved by crystal structure prediction method and their lattice and free energies were calculated by advanced techniques.
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ГОСТ
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Shtukenberg A. G. et al. Powder diffraction and crystal structure prediction identify four new coumarin polymorphs // Chemical Science. 2017. Vol. 8. No. 7. pp. 4926-4940.
ГОСТ со всеми авторами (до 50)
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Shtukenberg A. G., Zhu Q., Carter D. J., Vogt-Maranto L., Hoja J., Schneider E., Song H., Pokroy B., Polishchuk I., Tkatchenko A., Oganov A. R., Rohl A. L., Tuckerman M. E., Kahr B. Powder diffraction and crystal structure prediction identify four new coumarin polymorphs // Chemical Science. 2017. Vol. 8. No. 7. pp. 4926-4940.
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TY - JOUR
DO - 10.1039/C7SC00168A
UR - https://doi.org/10.1039/C7SC00168A
TI - Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
T2 - Chemical Science
AU - Shtukenberg, A. G.
AU - Zhu, Q.
AU - Carter, Damien J
AU - Vogt-Maranto, Leslie
AU - Hoja, Johannes
AU - Schneider, Elia
AU - Song, Hongxing
AU - Pokroy, B.
AU - Polishchuk, Iryna
AU - Tkatchenko, Alexandre
AU - Oganov, A. R.
AU - Rohl, Andrew L.
AU - Tuckerman, Mark E.
AU - Kahr, Bart
PY - 2017
DA - 2017/05/15
PB - Royal Society of Chemistry (RSC)
SP - 4926-4940
IS - 7
VL - 8
PMID - 28959416
SN - 2041-6520
SN - 2041-6539
ER -
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BibTex (до 50 авторов)
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@article{2017_Shtukenberg,
author = {A. G. Shtukenberg and Q. Zhu and Damien J Carter and Leslie Vogt-Maranto and Johannes Hoja and Elia Schneider and Hongxing Song and B. Pokroy and Iryna Polishchuk and Alexandre Tkatchenko and A. R. Oganov and Andrew L. Rohl and Mark E. Tuckerman and Bart Kahr},
title = {Powder diffraction and crystal structure prediction identify four new coumarin polymorphs},
journal = {Chemical Science},
year = {2017},
volume = {8},
publisher = {Royal Society of Chemistry (RSC)},
month = {may},
url = {https://doi.org/10.1039/C7SC00168A},
number = {7},
pages = {4926--4940},
doi = {10.1039/C7SC00168A}
}
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MLA
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Shtukenberg, A. G., et al. “Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.” Chemical Science, vol. 8, no. 7, May. 2017, pp. 4926-4940. https://doi.org/10.1039/C7SC00168A.
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