K. Shankland

K. Shankland, F. Greco, I. Hamley, 2018, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Insights into the Mechanochemical Synthesis of MOF-74

K. Shankland, C. Murray, P. Vaqueiro, 2021, Crystal growth & design.

Unit cell determination of sotalol hydrochloride by powder x-ray diffraction

K. Shankland, D. Sivia, 1996 .

Polymorphism in benzamide.

K. Shankland, W. David, R. Davey, 2005, Angewandte Chemie.

Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency.

K. Shankland, A. McLean, M. Warzecha, 2015, Chemical communications.

Structure and stability of two polymorphs of creatine and its monohydrate

Gary J. Miller, K. Shankland, W. David, 2014 .

Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening

K. Shankland, S. Price, S. Barnett, 2008 .

Search for a predicted hydrogen bonding motif--a multidisciplinary investigation into the polymorphism of 3-azabicyclo[3.3.1]nonane-2,4-dione.

K. Shankland, S. Price, A. Florence, 2007, Journal of the American Chemical Society.

Determination of refractive indices of polyalkylcyanoacrylate particles

K. Shankland, T. Whateley, 1992 .

Synthesis and Antiviral Properties of Spirocyclic [1,2,3]‐Triazolooxazine Nucleosides

B. Neuman, K. Shankland, Matthew M. W. McLachlan, 2014, Chemistry.

Property enhancement of healable supramolecular polyurethanes

K. Shankland, R. Wildman, D. Irvine, 2019, European Polymer Journal.

ONE-DIMENSIONAL SPIN CHAINS FROM CUII IONS AND 2,5-BIS(PYRAZOL-1-YL)-1,4-DIHYDROXYBENZENE

K. Shankland, W. David, R. Dinnebier, 2002 .

The crystal structures of m-xylene and p-xylene, C 8 D 10 , at 4.5 K

K. Shankland, W. David, R. Ibberson, 2000 .

Asymmetric Organocatalytic Synthesis of Cyclopentane γ-Nitroketones

K. Shankland, Alexander J. A. Cobb, W. Al-ani, 2015, Synlett.

Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to δ(3)-amino acids.

K. Shankland, Alexander J. A. Cobb, Geoffrey D. Brown, 2015, Chemical communications.

Zipping and unzipping of a paddlewheel metal-organic framework to enable two-step synthetic and structural transformation.

K. Shankland, L. Brammer, A. Fletcher, 2013, Chemistry.

Synthesis of an intriguing steroidal constitutional isomer

K. Shankland, Alexander J. A. Cobb, A. Weymouth-Wilson, 2020, Tetrahedron Letters.

Asymmetric Phase-Transfer-CatalyzedSynthesis of Five-Membered Cyclic γ-Amino AcidPrecursors

K. Shankland, Alexander J. A. Cobb, S. Rajkumar, 2010 .

DASH: a program for crystal structure determination from powder diffraction data

Jason C. Cole, Elna Pidcock, William I. F. David, 2006 .

Structure and spectroscopy of methionyl-methionine for aquaculture

K. Shankland, S. Parker, P. Albers, 2021, Scientific reports.

Organocatalytic Access to a cis-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide.

K. Shankland, E. Rosta, R. Atkinson, 2019, Journal of the American Chemical Society.

Reversible extrusion and uptake of HCl molecules by crystalline solids involving coordination bond cleavage and formation.

K. Shankland, L. Brammer, H. Adams, 2006, Journal of the American Chemical Society.

Single-crystal neutron diffraction of urea-phosphoric acid: evidence for H-atom migration in a short hydrogen bond between 150 K and 350 K

Chick C. Wilson, K. Shankland, N. Shankland, 2001 .

Temperature- and pressure-induced proton transfer in the 1:1 adduct formed between squaric acid and 4,4'-bipyridine.

Kevin M. Knight, W. G. Marshall, Chick C. Wilson, 2009, Journal of the American Chemical Society.

Rational modification of the hierarchy of intermolecular interactions in molecular crystal structures by using tunable halogen bonds.

K. Shankland, L. Brammer, H. Adams, 2009, Chemistry.

Chiral metal-dithiolene/viologen ion pairs: synthesis and electrical conductivity.

K. Shankland, W. David, R. Dinnebier, 2001, Chemistry.

Crystal Structure of the [(C5H4BMe2)2Fe]-4,4′-bipyridine Polymer from High Resolution X-Ray Powder Diffraction

K. Shankland, W. David, R. Dinnebier, 2000 .

Salt forms of amides : protonation and polymorphism of carbamazepine and cytenamide

Mark J. Spillman, K. Shankland, N. Shankland, 2013 .

Regio- and Stereoselectivity of the Norrish–Yang Photocyclization of Dialkyl 1,2-Diketones: Solution versus Solid State Photochemistry of Two Polymorphs

K. Shankland, E. Suárez, A. Kennedy, 2022, The Journal of organic chemistry.

Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordi

R. Friend, E. Tedesco, J. Attfield, 2003 .

The disordered structure of tetraferrocenyl-[3]-cumulene, (Fc)2C=C=C=C(Fc)2, by simulated annealing using synchrotron powder diffraction data

K. Shankland, W. David, B. Bildstein, 2000 .

Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine

Chick C. Wilson, K. Shankland, A. Parkin, 2011 .

Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction.

Chick C. Wilson, K. Shankland, S. Barnett, 2006, Acta crystallographica. Section B, Structural science.

ExtSym: a program to aid space‐group determination from powder diffraction data

William I. F. David, Anders J. Markvardsen, Kenneth Shankland, 2008 .

Structure determination from powder diffraction data.

K. Shankland, W. David, W I F David, 2008, Acta crystallographica. Section A, Foundations of crystallography.

Urea–N,N-dimethylacetamide (1/1)

K. Shankland, W. David, A. Florence, 2008, Acta crystallographica. Section E, Structure reports online.

Development of a Zeolite Filter for Removing Polycyclic Aromatic Hydrocarbons (PAHs) from Smoke and Smoked Ingredients while Retaining the Smoky Flavor.

K. Shankland, Stella Lignou, D. Baines, 2017, Journal of agricultural and food chemistry.

Single-crystal X-ray diffraction analysis of pyrene II at 93K

K. Shankland, K. Knight, N. Shankland, 2000 .

Woehler and Liebig revisited: A small molecule reveals its secrets - The crystal structure of the unstable polymorph of benzamide solved after 173 years

K. Shankland, W. David, R. Davey, 2005 .

Structural characterization of three crystalline modifications of telmisartan by single crystal and high-resolution X-ray powder diffraction.

K. Shankland, W. David, H. Nar, 2000, Journal of pharmaceutical sciences.

Synthesis and antiviral activity of novel spirocyclic nucleosides

B. Neuman, K. Shankland, Christin Müller, 2018 .

Some observations on the crystal structure of (R,S)-propranolol hydrochloride

K. Shankland, K. Knight, 1996 .

Solid phases of cyclopentane: combined experimental and simulation study.

K. Shankland, W. David, C. Catlow, 2008, The journal of physical chemistry. B.

The nine modes of complexed water

K. Shankland, J. Sprunt, S. Parker, 1997 .

Improved crystal structure solution from powder diffraction data by the use of conformational information

J. Cole, K. Shankland, O. Korb, 2017, Acta Crystallographica Section A Foundations and Advances.

Rietveld-Based Quantitative Phase Analysis of Sugars in Confectionery

Mark J. Spillman, K. Shankland, C. Elleman, 2018, Food Analytical Methods.

Powder study of hydrochlorothiazide form II

K. Shankland, A. Florence, H. Stevens, 2005 .

Indexing powder patterns in physical form screening: instrumentation and data quality.

K. Shankland, W. David, B. Baumgartner, 2003, Journal of pharmaceutical sciences.

The use of maximum entropy and likelihood ranking to determine the crystal structure of 4-(4′-(N,N-dimethyl)aminobenzylidene)-pyrazolidine-3,5-dione at 1.4 Å resolution from electron diffraction and high-resolution electron microscopy image data

K. Shankland, G. Bricogne, C. Gilmore, 1994 .

Reversible gas uptake by a nonporous crystalline solid involving multiple changes in covalent bonding.

K. Shankland, W. David, L. Brammer, 2007, Journal of the American Chemical Society.

Characterisation of amorphous and nanocrystalline molecular materials by total scattering

K. Shankland, P. Juhás, S. Billinge, 2010 .

Structural transformations in zopiclone.

K. Shankland, W. David, A. Florence, 2001, Chemical communications.

Uniting electron crystallography and powder diffraction

K. Shankland, W. David, U. Kolb, 2012 .

Highly Enantioselective, Organocatalytic and Scalable Synthesis of a rare cis-cis-Tricyclic Diterpenoid.

K. Shankland, Alexander J. A. Cobb, A. Weymouth-Wilson, 2020, Chemistry.

Extending the Power of Global Optimisation Methods in Direct Space Structure Determination from Powder Diffraction Data

A. Markvardsen, K. Shankland, W. David, 2003 .

Cytenamide–1,4-dioxane (2/1)

K. Shankland, A. Florence, F. Fabbiani, 2008, Acta crystallographica. Section E, Structure reports online.

Cytenamide–butyric acid (1/1)

K. Shankland, A. Florence, F. Fabbiani, 2008, Acta crystallographica. Section E, Structure reports online.

Cytenamide trifluoroacetic acid solvate

K. Shankland, A. Florence, F. Fabbiani, 2008, Acta crystallographica. Section E, Structure reports online.

Cytenamide acetic acid solvate

K. Shankland, A. Florence, C. Bedford, 2008, Acta crystallographica. Section E, Structure reports online.

Three-centre hydrogen bonds in triphenylphosphine oxide–hydroquinone (1/1)

A. Markvardsen, K. Shankland, R. Moreno-Fuquen, 2008, Acta crystallographica. Section E, Structure reports online.

Carbamazepine trifluoroacetic acid solvate

K. Shankland, W. David, A. Florence, 2007 .

Hydroflumethiazide dimethyl sulfoxide disolvate

K. Shankland, W. David, A. Florence, 2007 .

Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration

K. Shankland, A. Florence, N. Shankland, 2006 .

Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2

K. Shankland, A. Florence, A. Hulme, 2006 .

Routine determination of molecular crystal structures from powder diffraction data

William I. F. David, Kenneth Shankland, K. Shankland, 1998 .

Crystal Structure Determination from Powder Diffraction Data by the Application of a Genetic Algorithm

K. Shankland, William I. F. David, K. Shankland, 1998 .

The crystal structure of perdeuterated pyrene II at 4.2 K

K. Shankland, W. David, K. Knight, 1996 .

A catemer-to-dimer structural transformation in cyheptamide

K. Shankland, T. Gelbrich, M. Hursthouse, 2008 .

Applications of the maximum entropy method to powder diffraction and electron crystallography

K. Shankland, G. Bricogne, C. Gilmore, 1993, Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences.

Phase extension in electron crystallography using the maximum-entropy method and its application to two-dimensional purple membrane data from Halobacterium halobium

K. Shankland, J. Fryer, C. Gilmore, 1993 .

Materials chemistry communications. Application of the combined maximum entropy and likelihood method to the ab initio determination of an organic crystal structure from X-ray powder diffraction data

P. Bruce, K. Harris, K. Shankland, 1992 .

Vibrational spectroscopy of a compound with a CS7 ring

K. Shankland, K. Refson, S. Parker, 2009 .

Structure solution and refinement of tetracaine hydrochloride from X-ray powder diffraction data

W. Motherwell, J. Cole, J. Attfield, 2002 .

Structure Solution: Global Optimisation Methods

K. Shankland, 2012 .

Routine ab initio structure determination of chlorothiazideby X-ray powder diffraction using optimised data collection and analysisstrategies

K. Shankland, W. David, D. Sivia, 1997 .

Global Rietveld Refinement

K. Shankland, 2004, Journal of Research of the National Institute of Standards and Technology.

Ab initio structure determination of LiCF3SO3 from X-ray powder diffraction data using entropy maximization and likelihood ranking

Kenneth D. M. Harris, Philip Lightfoot, Gérard Bricogne, 1992 .

Salt and ionic cocrystalline forms of amides : protonation of carbamazepine in aqueous media

Mark J. Spillman, K. Shankland, D. Hooper, 2015 .

A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling

Mark J. Spillman, K. Shankland, Adrian C. Williams, 2011 .

Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue

K. Shankland, T. Gelbrich, M. Hursthouse, 2008 .

GALLOP: accelerated molecular crystal structure determination from powder diffraction data

Mark J. Spillman, K. Shankland, 2021, CrystEngComm.

High-pressure structural studies of the pharmaceutical, chlorothiazide

K. Shankland, C. Pulham, A. Lennie, 2010 .

Hirshfeld surface analysis of two bendroflumethiazide solvates.

K. Shankland, A. Florence, N. Shankland, 2007, Acta crystallographica. Section C, Crystal structure communications.

An automated platform for parallel crystallization of small organic molecules

K. Shankland, A. Florence, N. Shankland, 2006 .

Global optimization strategies

William I. F. David, Kenneth Shankland, K. Shankland, 2006 .

Powder study of chlorothiazide N,N-dimethylformamide solvate

Alastair J. Florence, Andrea Johnston, Kenneth Shankland, 2006 .

Powder study of hydrochlorothiazide–methyl acetate (1/1)

Alastair J. Florence, Andrea Johnston, Kenneth Shankland, 2005 .

Characterization of a hybrid Monte Carlo search algorithm for structure determination

A. Markvardsen, K. Shankland, W. David, 2005 .

Molecular, crystallographic and algorithmic factors in structure determination from powder diffraction data by simulated annealing

K. Shankland, W. David, N. Shankland, 2002 .

Crystallization and crystal energy landscape of hydrochlorothiazide

K. Shankland, S. Price, A. Florence, 2007 .

Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene.

K. Shankland, W. David, S. Barnett, 2006, Acta crystallographica. Section B, Structural science.

A hybrid Monte Carlo method for crystal structure determination from powder diffraction data.

A. Markvardsen, K. Shankland, W. David, 2002, Acta crystallographica. Section A, Foundations of crystallography.

Conformational analysis by solid-state NMR and its application to restrained structure determination from powder diffraction data.

A. Markvardsen, K. Shankland, W. David, 2002, Chemical communications.

Organocatalytic Enantioselective Construction of Nitrocyclohexanes Containing Multiple Chiral Centers via a Cascade Reaction.

K. Shankland, Alexander J. A. Cobb, S. Rajkumar, 2012 .

Pushing the Limits of Molecular Crystal Structure Determination From Powder Diffraction Data in High-Throughput Chemical Environments.

K. Shankland, C. Blundell, E. Kabova, 2018, Journal of pharmaceutical sciences.

Structure solution of Ibuprofen from powder diffraction data by the application of a genetic algorithm combined with prior conformational analysis

William I. F. David, Kenneth Shankland, K. Shankland, 1998 .

Powder diffraction based structural studies of pharmaceuticals

A. Markvardsen, K. Shankland, W. David, 2004 .

The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene

Alan R. Kennedy, Duncan Graham, William I. F. David, 2004 .

Structure and Dynamics of Maleic Anhydride

Chick C. Wilson, K. Shankland, D. Keen, 2001 .

A maximum-likelihood method for global-optimization-based structure determination from powder diffraction data.

A. Markvardsen, K. Shankland, W. David, 2002, Acta crystallographica. Section A, Foundations of crystallography.

Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to δ(3)-amino acids.

K. Shankland, Alexander J. A. Cobb, Geoffrey D. Brown, 2015, Chemical communications.

The crystal structure of a metastable polymorph of para-azoxyanisole

K. Shankland, R. Davey, Sophie L. M. Janbon, 2008 .

Spray Dried Progesterone Formulations for Carrier Free Dry Powder Inhalation.

K. Shankland, Yoonha Kim, Hisham Al-Obaidi, 2023, European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V.

Strathprints Institutional Repository Search for a Predicted Hydrogen Bonding Motif -a Multidisciplinary Investigation into the Polymorphism of 3-azabicyclo[3.3.1]nonane-2,4-dione

K. Shankland, S. Price, A. Florence, 2022 .