Parameterization of the close packing of molecules in the unit cellPIDCOCK, Elna; MOTHERWELL, W. D.Acta crystallographica. Section B, Structural science. 2004, Vol 60, Num 6, pp 725-733, issn 0108-7681, 9 p.Article

Distribution of molecular centres in unit cells with respect to packing patternsPIDCOCK, Eina; MOTHERWELL, W. D.Acta crystallographica. Section B, Structural science. 2004, Vol 60, Num 5, pp 539-546, issn 0108-7681, 8 p.Article

Distribution of molecular centres in crystallographic unit cellsMOTHERWELL, W. D. S.Acta crystallographica. Section B, Structural science. 1997, Vol 53, Num 4, pp 726-736, issn 0108-7681Article

Effect of intermolecular hydrogen-bonded motifs on packing pattern populationsPIDCOCK, Elna; MOTHERWELL, W. D.Crystal growth & design. 2005, Vol 5, Num 6, pp 2322-2330, issn 1528-7483, 9 p.Article

Beyond the isotropic atom model in crystal structure prediction of rigid molecules: Atomic multipoles versus point chargesDAY, Graeme M; MOTHERWELL, W. D; JONES, William et al.Crystal growth & design. 2005, Vol 5, Num 3, pp 1023-1033, issn 1528-7483, 11 p.Article

Crystal structure prediction and the Cambridge structural databaseMOTHERWELL, W. D. S.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 2001, Vol 356, pp 559-567, issn 1058-725XConference Paper

Pharmaceutical cocrystallization: Engineering a remedy for caffeine hydrationTRASK, Andrew V; MOTHERWELL, W. D; JONES, William et al.Crystal growth & design. 2005, Vol 5, Num 3, pp 1013-1021, issn 1528-7483, 9 p.Article

A database survey of molecular and crystallographic symmetryPIDCOCK, Elna; MOTHERWELL, W. D; COLE, Jason C et al.Acta crystallographica. Section B, Structural science. 2003, Vol 59, Num 5, pp 634-640, issn 0108-7681, 7 p.Article

Applications of the Cambridge Structural Database in organic chemistry and crystal chemistryALLEN, Frank H; MOTHERWELL, W. D.Acta crystallographica. Section B, Structural science. 2002, Vol 58, Num 3, pp 407-422, issn 0108-7681, 1Article

General method for the description, visualization and comparison of metal coordination spheres : geometrical preferences, deformations and interconversion pathwaysJING WEN YAO; COPLEY, Royston C. B; HOWARD, Judith A. K et al.Acta crystallographica. Section B, Structural science. 2001, Vol 57, Num 3, pp 251-260, issn 0108-7681Article

A strategy for predicting the crystal structures of flexible molecules : the polymorphism of phenobarbitalDAY, G. M; MOTHERWELL, W. D. S; JONES, W et al.PCCP. Physical chemistry chemical physics (Print). 2007, Vol 9, Num 14, pp 1693-1704, issn 1463-9076, 12 p.Article

Physical stability enhancement of theophylline via cocrystallizationTRASK, Andrew V; MOTHERWELL, W. D. Sam; JONES, William et al.International journal of pharmaceutics. 2006, Vol 320, Num 1-2, pp 114-123, issn 0378-5173, 10 p.Article

Formation of quinol co-crystals with hydrogen-bond acceptorsOSWALD, Lain D. H; MOTHERWELL, W. D; PARSONS, Simon et al.Acta crystallographica. Section B, Structural science. 2005, Vol 61, Num 1, pp 46-57, issn 0108-7681, 12 p.Article

Influence of dicarboxylic acid structure on tape networks in co-crystals of 2-pyridoneEDWARDS, M. R; JONES, W; MOTHERWELL, W. D. S et al.Crystal engineering. 2002, Vol 5, Num 1, pp 25-36, issn 1463-0184Article

Pharmaceutical cocrystals : An emerging approach to physical property enhancementJONES, William; MOTHERWELL, W. D. Samuel; TRASK, Andrew V et al.MRS bulletin. 2006, Vol 31, Num 11, pp 875-879, issn 0883-7694, 5 p.Article

Automated assignment of graph-set descriptors for crystallographically symmetric moleculesMOTHERWELL, W. D. S; SHIELDS, G. P; ALLEN, F. H et al.Acta crystallographica. Section B, Structural science. 2000, Vol 56, Num 3, pp 466-473, issn 0108-7681Article

CSDsymmetry: the definitive database of point-group and space-group symmetry relationships in small-molecule crystal structuresJING WEN YAO; COLE, Jason C; PIDCOCK, Elna et al.Acta crystallographica. Section B, Structural science. 2002, Vol 58, Num 4, pp 640-646, issn 0108-7681Article

Crystal engineering and chloro-methyl interchange : a CSD analysisEDWARDS, Marc R; JONES, William; MOTHERWELL, W. D et al.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 2001, Vol 356, pp 337-353, issn 1058-725XConference Paper

Structures of the monofluoro- and monochlorophenols at low temperature and high pressureOSWALD, Lain D. H; ALLAN, David R; MOTHERWELL, W. D et al.Acta crystallographica. Section B, Structural science. 2005, Vol 61, Num 1, pp 69-79, issn 0108-7681, 11 p.Article

Crystal structure prediction of small organic molecules: a second blind testMOTHERWELL, W. D; AMMON, Herman L; PRICE, Sarah L et al.Acta crystallographica. Section B, Structural science. 2002, Vol 58, Num 4, pp 647-661, issn 0108-7681Article

An assessment of lattice energy minimization for the prediction of molecular organic crystal structuresDAY, Graeme M; CHISHOLM, James; NING SHAN et al.Crystal growth & design. 2004, Vol 4, Num 6, pp 1327-1340, issn 1528-7483, 14 p.Article

Lactonisation-a degradation pathway for active pharmaceutical compounds : an in silico study in amorphous trehaloseSIMPERLER, Alexandra; KORNHERR, Andreas; CHOPRA, Reenu et al.PCCP. Physical chemistry chemical physics (Print). 2007, Vol 9, Num 30, pp 3999-4006, issn 1463-9076, 8 p.Article

Amide pyramidalization in carbamazepine : A flexibility problem in crystal structure prediction?CRUZ CABEZA, Aurora J; DAY, Graeme M; SAMUEL MOTHERWELL, W. D et al.Crystal growth & design. 2006, Vol 6, Num 8, pp 1858-1866, issn 1528-7483, 9 p.Article

Achieving polymorphic and stoichiometric diversity in cocrystal formation : Importance of solid-state grinding, powder X-ray structure determination, and seedingTRASK, Andrew V; VAN DE STREEK, Jacco; SAMUEL MOTHERWELL, W. D et al.Crystal growth & design. 2005, Vol 5, Num 6, pp 2233-2241, issn 1528-7483, 9 p.Article

Importance of molecular shape for the overall stability of hydrogen bond motifs in the crystal structures of various carbamazepine-type drug moleculesCRUZ CABEZA, Aurora J; DAY, Graeme M; MOTHERWELL, W. D. Samuel et al.Crystal growth & design. 2007, Vol 7, Num 1, pp 100-107, issn 1528-7483, 8 p.Article