Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Hugh P. G. Thompson"'
Autor:
Jonathan W. Steed, Antoine Maurin, Jonathan A. Foster, Krishna K. Damodaran, Jenifer Cuesta Bernal, Graeme M. Day, Gary J. Cameron, Hugh P. G. Thompson
Publikováno v:
Chemical Science
We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d3bfc015a9b7c85a7c4e353085a7d95e
https://pubmed.ncbi.nlm.nih.gov/28451150
https://pubmed.ncbi.nlm.nih.gov/28451150
Autor:
Mark D. Eddleston, William Jones, Hugh P. G. Thompson, Katarzyna E. Hejczyk, Graeme M. Day, Andrew Cassidy
A noteworthy feature of the compound theophylline is that it forms crystals with a triangular habit, an extremely rare phenomenon for an organic molecule. Here, we investigate the formation of these crystals, comprised of the polymorph Form II (Pna21
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1aea93bc6d6ef39cfe52f2952d9e7213
https://eprints.soton.ac.uk/376031/
https://eprints.soton.ac.uk/376031/
Autor:
Hugh P. G. Thompson, Graeme M. Day
Publikováno v:
Chemical Science
The ability to anticipate the shape adopted by flexible molecules in the solid state is crucial for engineering and predicting crystal packing and, hence, properties. In this study, the conformations adopted by flexible molecules in their crystal str
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ab9f37f6ca1138ffb7b2cf8ebb7a9b4
https://eprints.soton.ac.uk/356238/
https://eprints.soton.ac.uk/356238/
In silico design of supramolecules from their precursors: odd-even effects in cage-forming reactions
Autor:
Andrew I. Cooper, Kim E. Jelfs, Dave J. Adams, Hugh P. G. Thompson, Edward O. Pyzer-Knapp, Stephen Shakespeare, Jamie L. Culshaw, Graeme M. Day, John Bacsa, Edward Eden
Publikováno v:
Journal of the American Chemical Society
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
We synthesize a series of imine cage molecules where increasing the chain length of the alkanediamine precursor results in an odd–even alternation between [2 + 3] and [4 + 6] cage macrocycles. A computational procedure is developed to predict the t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49766fceac9cb541e386902766e7d301
https://pubmed.ncbi.nlm.nih.gov/23745577
https://pubmed.ncbi.nlm.nih.gov/23745577
Autor:
Robin S. Stein, Elodie Salager, Sirena Bassil, Maria Baias, Jean-Nicolas Dumez, Anne Lesage, Timothy G. Cooper, Graeme M. Day, Hugh P. G. Thompson, Lyndon Emsley, Cory M. Widdifield
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15 (21), pp.8069-8080. ⟨10.1039/c3cp41095a⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15 (21), pp.8069-8080. ⟨10.1039/c3cp41095a⟩
International audience; A protocol for the ab initio crystal structure determination of powdered solids at natural isotopic abundance by combining solid-state NMR spectroscopy, crystal structure prediction, and DFT chemical shift calculations was eva
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77d01045c41f0e4a59e27fe8966deded
https://eprints.soton.ac.uk/351758/
https://eprints.soton.ac.uk/351758/
Autor:
Jean-Nicolas Dumez, Staffan Schantz, Hugh P. G. Thompson, Lyndon Emsley, Per H. Svensson, Cory M. Widdifield, Maria Baias, Graeme M. Day
Publikováno v:
Acta Crystallographica Section A Foundations and Advances. 70:C136-C136
State-of-the-art work in the field of NMR crystallography for molecular systems at natural abundance has recently focused on the accurate measurement of 1H chemical shift values. We will show how when coupled with crystal structure prediction (CSP) m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e00faf02a33d51680c77792623bd228b
https://doi.org/10.1107/s2053273314098635
https://doi.org/10.1107/s2053273314098635
Autor:
Graeme M. Day, Hugh P. G. Thompson
Publikováno v:
Acta Crystallographica Section A Foundations of Crystallography. 69:s154-s154
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::60dbe2f3e8a88b5921967ab9cf2c86a8
https://doi.org/10.1107/s010876731309870x
https://doi.org/10.1107/s010876731309870x