DOI: 10.1039/c4sc00095a. Predicted crystal energy landscapes of porous organic cages

Predicted crystal energy landscapes of porous organic cages

10.1039/c4sc00095a

Crossref journal-article

Royal Society of Chemistry (RSC)

Chem. Sci. (292)

Abstract

Computational methods predict the crystal packing of porous organic cage molecules, allowing crystal structure and porosity to be predicted starting from the chemical diagram alone.

Bibliography

Pyzer-Knapp, E. O., Thompson, H. P. G., Schiffmann, F., Jelfs, K. E., Chong, S. Y., Little, M. A., Cooper, A. I., & Day, G. M. (2014). Predicted crystal energy landscapes of porous organic cages. Chem. Sci., 5(6), 2235â2245.

Authors 8

Edward O. Pyzer-Knapp (first)
Hugh P. G. Thompson (additional)
Florian Schiffmann (additional)
Kim E. Jelfs (additional)
Samantha Y. Chong (additional)
Marc A. Little (additional)
Andrew I. Cooper (additional)
Graeme M. Day (additional)

References 40 Referenced 74

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10.1002/chem.201204368 / Chem. – Eur. J. by Eddleston (2013)

Dates

Type	When
Created	11 years, 5 months ago (March 11, 2014, 7:01 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 12:35 p.m.)
Indexed	4 months, 4 weeks ago (April 4, 2025, 1:04 a.m.)
Issued	11 years, 8 months ago (Jan. 1, 2014)
Published	11 years, 8 months ago (Jan. 1, 2014)
Published Online	11 years, 8 months ago (Jan. 1, 2014)

Funders 0

None

BibTeX

@article{Pyzer_Knapp_2014, title={Predicted crystal energy landscapes of porous organic cages}, volume={5}, ISSN={2041-6539}, url={http://dx.doi.org/10.1039/c4sc00095a}, DOI={10.1039/c4sc00095a}, number={6}, journal={Chem. Sci.}, publisher={Royal Society of Chemistry (RSC)}, author={Pyzer-Knapp, Edward O. and Thompson, Hugh P. G. and Schiffmann, Florian and Jelfs, Kim E. and Chong, Samantha Y. and Little, Marc A. and Cooper, Andrew I. and Day, Graeme M.}, year={2014}, pages={2235–2245} }

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  "subtitle": [],
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  "issued": {
    "date-parts": [
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  "URL": "http://dx.doi.org/10.1039/C4SC00095A",
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  "ISSN": [
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    "2041-6539"
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  "subject": [],
  "container-title-short": "Chem. Sci.",
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    {
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    {
      "value": "Received 10 January 2014; Accepted 6 March 2014;  Accepted Manuscript published 11 March 2014;  Advance Article published 26 March 2014;  Version of Record published 7 May 2014",
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