S. Motherwell

Cambridge Crystallographic Data Centre — United Kingdom

Materials Science · Physical Sciences

15h-index1.9kcitations38works0.02yr avg
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Research Topics

Crystallization and Solubility Studies(15), Crystallography and molecular interactions(14), X-ray Diffraction in Crystallography(14), Computational Drug Discovery Methods(8), Molecular spectroscopy and chirality(4)

Publications38 total

Prediction of H-Bonding Motifs for Pyrazoles and Oximes Using the Cambridge Structural Database
2015· 5 cited
New software for searching the Cambridge Structural Database for solvated and unsolvated crystal structures applied to hydrates
CrystEngComm·2006· 63 cited
Searching the Cambridge Structural Database for solvated<i>vs</i>unsolvated pairs
Acta Crystallographica Section A Foundations of Crystallography·2006Open Access
Close packing<i>vs</i>specific interactions:<i>para</i>-disubstituted benzene derivatives
Acta Crystallographica Section A Foundations of Crystallography·2006Open Access
Knowledge-based approaches to crystal design
CrystEngComm·2006· 36 cited
Report of the Working Group on Crystal Phase Identifiers 2005-3-21 | NIST
Acta Crystallographica Section D Biological Crystallography·2005
Searching the Cambridge Structural Database for polymorphs
Acta Crystallographica Section B Structural Science·2005· 44 cited
Extended hydrogen bond patterns in small molecule crystal structures: a CSD study
Acta Crystallographica Section A Foundations of Crystallography·2005· 1 citedOpen Access
<i>GRX</i>: a program to search the CSD for functional group exchanges
Journal of Applied Crystallography·2005· 22 cited
An ab Initio Study of Observed and Hypothetical Polymorphs of Glycine
Crystal Growth & Design·2005· 38 citedOpen Access
<i>COMPACK</i>: a program for identifying crystal structure similarity using distances
Journal of Applied Crystallography·2005· 368 cited
A molecular dynamics simulation of the melting points and glass transition temperatures of myo- and neo-inositol
The Journal of Chemical Physics·2004· 42 cited
CSDContact: a database of hydrogen-bond contacts for chemical groups
Acta Crystallographica Section A Foundations of Crystallography·2004Open Access
The 2004 blind test of crystal structure prediction
Acta Crystallographica Section A Foundations of Crystallography·2004Open Access
Prediction of H-Bonding Motifs for Pyrazoles and Oximes Using the Cambridge Structural Database
Structural Chemistry·2004· 34 cited
A new algorithm for performing three-dimensional searches of the Cambridge Structural Database
Journal of Applied Crystallography·2004· 33 citedOpen Access
CCDC 212316: Experimental Crystal Structure Determination
The Cambridge Structural Database·2004Open Access
Cheminformatics and Crystallography. The Cambridge Structural Database
Cheminformatics·2004· 6 cited
Structure of a 4-Nitroso-5-aminopyrazole and Its Salts:  Tautomerism, Protonation, and<i>E</i>/<i>Z</i>Isomerism
The Journal of Organic Chemistry·2003· 20 cited
The Structure of <i>N</i><sup>1</sup>‐Hydroxylophine <i>N</i><sup>3</sup>‐Oxide (=1‐Hydroxy‐2,4,5‐ triphenyl‐1<i>H</i>‐imidazole 3‐Oxide) in the Solid State
Helvetica Chimica Acta·2003· 10 cited
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Frequent Co-authors

Lourdes Infantes(18), Paul R. Raithby(9), Nadine Jagerovic(9), James A. Chisholm(7), Louise Male(7), Jacco van de Streek(5), Rosa M. Claramunt(4), José Elguero(4), M.F. Mahon(4), S.J. Teat(4), Juergen Sauer(4), Mary F. Mahon(3), Simon J. Teat(3), J. Elguero(3), Peter Murray‐Rust(2), M. Holschbach(2), Dionísia Sanz(2), M. Luísa Jimeno(2), David Herrero(2), Ibón Alkorta(2)