2014

Frank H. Allen (1944-2014) obituary

R. Taylor, Acta Crystallogr. ,Sect. B:Struct. Sci., 2014, B70 1035-1036, DOI: 10.1107/S2052520614026201

Utilizing Organic & Organometallic Structural Data in Powder Diffraction

J. C. Cole, E. Kabova, K. S. Shankland, Powder Diffr., 2014, 29 S19-S30, DOI: 10.1017/S0885715614000827

Assessment of a Cambridge Structural Database-driven overlay program

I. Giangreco, T. S. G. Olsson, J. C. Cole, M. J. Packer, J. Chem. Inf. Model., 2014, 54 3091-3098, DOI: 10.1021/ci500509y

Partial-wave analysis of particular peaks in total scattering cross sections caused by a single partial wave

K.-E. Thylwe, P. McCabe, Eur. Phys. J. D Atom. Opt. Plas. Phys., 2014, 68 323, DOI: 10.1140/epjd/e2014-50409-7

A crystallographic perspective on sharing data and knowledge

I. J. Bruno, C. R. Groom, J. Comput. -Aided Mol. Des., 2014, 28 1015-1022, DOI: 10.1007/s10822-014-9780-9

The cloud and other new computational methods to improve molecular modelling

O. Korb, P. W. Finn, G. Jones, Exp. Opin. Drug Discov., 2014, 9 1121-1131, DOI: 10.1517/17460441.2014.941800

Knowledge-based libraries for predicting the geometric preferences of druglike molecules

R. Taylor, J. Cole, O. Korb, P. McCabe, J. Chem. Inf. Model., 2014, 54 2500-2514, DOI: 10.1021/ci500358p

Arthur Lindo Patterson, his function and element preferences in early crystal structures

C. H. Schwalbe, Cryst. Rev., 2014, 20 295-306, DOI: 10.1080/0889311X.2014.943202

Sixth blind test of organic crystal-structure prediction methods

C. R. Groom, A. M. Reilly, Acta Crystallogr. ,Sect. B:Struct. Sci., 2014, B70 776-777, DOI: 10.1107/S2052520614015923

Which intermolecular interactions have a significant influence on crystal packing?

R. Taylor, CrystEngComm, 2014, 16 6852-6865, DOI: 10.1039/C4CE00452C

Knowledge-based approaches to co-crystal design

P. A. Wood, N. Feeder, M. Furlow, P. T. A. Galek, C. R. Groom, E. Pidcock, CrystEngComm, 2014, 16 5839-5848, DOI: 10.1039/C4CE00316K

A theoretical study of spin-angular behaviors of potential scattering resonances

K.-E. Thylwe, P. McCabe, Phys. Scr., 2014, 89 085401, DOI: 10.1088/0031-8949/89/8/085401

Kernel density estimation applied to bond length, bond angle and torsion angle distributions

P. McCabe, O. Korb, J. C. Cole, J. Chem. Inf. Model., 2014, 54 1284-1288, DOI: 10.1021/ci500156d

Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines

Andrew G. P. Maloney, Peter A. Wood, Simon Parsons, CrystEngComm, 2014, 16 3867-3882, DOI: 10.1039/C3CE42639D

Hydrogen bond co-ordination in organic crystal structures: statistics, predictions and applications

P. T. A. Galek, J. A. Chisholm, E. Pidcock, P. A. Wood, Acta Crystallogr. ,Sect. B:Struct. Sci., 2014, B70 91-105, DOI: 10.1107/S2052520613033003

The Cambridge Structural Database in Retrospect and Prospect

C. R. Groom, F. H. Allen, Angew. Chem. ,Int. Ed., 2014, 53 662-671, DOI: 10.1002/anie.201306438

Lars Vegard: key communicator and pioneer crystallographer

C. H. Schwalbe, Cryst. Rev., 2014, 20 9-24, DOI: 10.1080/0889311X.2013.838674