List of works - Kenneth Shankland

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

scientific article published in September 2002

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

scientific article published in July 2002

A new crystalline form of αβ-D-lactose prepared by oven drying a concentrated aqueous solution of D-lactose

scientific article published on 13 June 2019

A probabilistic approach to space-group determination from powder diffraction data.

scientific article published in January 2001

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

scientific article published on 18 September 2006

Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data.

scientific article

Chasing the "Killer" Phonon Mode for the Rational Design of Low-Disorder, High-Mobility Molecular Semiconductors

scientific article published on 12 September 2019

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

scientific article published in February 2001

Cytenamide acetic acid solvate

scientific article published on 30 May 2008

Cytenamide trifluoro-acetic acid solvate

scientific article

Cytenamide-1,4-dioxane (2/1).

scientific article published on 28 June 2008

Cytenamide-butyric acid (1/1)

scientific article published on 19 June 2008

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

article

Decafluoroquarterphenyl - crystal and molecular structure solved from X-ray powder data

scientific article published in January 2001

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

scientific article published on 01 January 2015

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

Global Rietveld Refinement

scientific article published on February 2004

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

scientific article published on 27 February 2020

Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures

article

Magnesium, calcium and strontium salts of phenylacetic acid

scientific article published on 06 January 2012

Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding.

scientific article published on November 2010

Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers

scientific article published on 05 March 2013

Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state

scientific article published on 7 July 2014

Polymorphism in benzamide

scientific article

Rational Modification of the Hierarchy of Intermolecular Interactions in Molecular Crystal Structures by Using Tunable Halogen Bonds

scientific article published on 01 August 2009

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

scientific article published in August 2006

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

scientific article published on 23 November 2007

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

scientific article published on 01 March 2007

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

scientific article published on 15 March 2006

Solid phases of cyclopentane: combined experimental and simulation study

scientific article published on 5 March 2008

Solving molecular crystal structures from X-ray powder diffraction data: the challenges posed by gamma-carbamazepine and chlorothiazide N,N,-dimethylformamide (1/2) solvate

scientific article

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

scientific article published on 01 November 2000

Structure determination from powder diffraction data

scientific article published on 21 December 2007

Synthesis and antiviral properties of spirocyclic [1,2,3]-triazolooxazine nucleosides

scientific article

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 supplem

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

scientific article published in March 2009

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

article

Three-centre hydrogen bonds in triphenyl-phosphine oxide-hydro-quinone (1/1)

scientific article published on 4 January 2008

Urea–N,N-dimethylacetamide (1/1) ⬇️

scientific article published on January 4, 2008

Vibrational spectroscopy of a compound with a CS7ring

Zipping and Unzipping of a Paddlewheel Metal-Organic Framework to Enable Two-Step Synthetic and Structural Transformation

article

List of works by Kenneth Shankland

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

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

A new crystalline form of αβ-D-lactose prepared by oven drying a concentrated aqueous solution of D-lactose

A probabilistic approach to space-group determination from powder diffraction data.

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

Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data.

Chasing the "Killer" Phonon Mode for the Rational Design of Low-Disorder, High-Mobility Molecular Semiconductors

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

Cytenamide acetic acid solvate

Cytenamide trifluoro-acetic acid solvate

Cytenamide-1,4-dioxane (2/1).

Cytenamide-butyric acid (1/1)

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

Decafluoroquarterphenyl - crystal and molecular structure solved from X-ray powder data

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

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

Global Rietveld Refinement

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

Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures

Magnesium, calcium and strontium salts of phenylacetic acid

Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding.

Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers

Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state

Polymorphism in benzamide

Rational Modification of the Hierarchy of Intermolecular Interactions in Molecular Crystal Structures by Using Tunable Halogen Bonds

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

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

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

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

Solid phases of cyclopentane: combined experimental and simulation study

Solving molecular crystal structures from X-ray powder diffraction data: the challenges posed by gamma-carbamazepine and chlorothiazide N,N,-dimethylformamide (1/2) solvate

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

Structure determination from powder diffraction data

Synthesis and antiviral properties of spirocyclic [1,2,3]-triazolooxazine nucleosides

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 supplem

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

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

Three-centre hydrogen bonds in triphenyl-phosphine oxide-hydro-quinone (1/1)

Urea–N,N-dimethylacetamide (1/1) ⬇️

Vibrational spectroscopy of a compound with a CS7ring

Zipping and Unzipping of a Paddlewheel Metal-Organic Framework to Enable Two-Step Synthetic and Structural Transformation