William I David

William I F David

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William I David

William I F David

Publications by authors named "William I F David"

42Publications

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1PubMed Central Citations

Bulk phase behavior of lithium imide-metal nitride ammonia decomposition catalysts.

Phys Chem Chem Phys 2018 Sep;20(35):22689-22697

Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR, UK.

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http://dx.doi.org/10.1039/c8cp02824aDOI Listing
September 2018

Neutron diffraction and gravimetric study of the manganese nitriding reaction under ammonia decomposition conditions.

Phys Chem Chem Phys 2018 Mar;20(13):8547-8553

ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, OX11 0QX, UK.

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http://dx.doi.org/10.1039/c7cp07613dDOI Listing
March 2018

Neutron diffraction and gravimetric study of the iron nitriding reaction under ammonia decomposition conditions.

Phys Chem Chem Phys 2017 Oct;19(40):27859-27865

ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, OX11 0QX, UK.

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http://dx.doi.org/10.1039/c7cp04494aDOI Listing
October 2017

Isotopic studies of the ammonia decomposition reaction using lithium imide catalyst.

Phys Chem Chem Phys 2017 Feb;19(6):4719-4724

ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, OX11 0QX, UK. and Inorganic Chemistry Laboratory, University of Oxford, Oxford, OX1 3QR, UK.

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http://dx.doi.org/10.1039/c6cp07734jDOI Listing
February 2017

Ammonia decomposition catalysis using lithium-calcium imide.

Faraday Discuss 2016 07;188:525-44

Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR, UK and ISIS Facility, STFC Rutherford Appleton Laboratory, Harwell Campus, Didcot, OX11 0QX, UK.

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http://dx.doi.org/10.1039/c5fd00179jDOI Listing
July 2016

Dimer-mediated cation diffusion in the stoichiometric ionic conductor Li3N.

Phys Chem Chem Phys 2016 Feb;18(7):5605-13

ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxfordshire, OX11 0QX, UK. and Department of Physics, Royal Holloway, University of London, Egham, TW20 0EX, UK.

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http://dx.doi.org/10.1039/c5cp07625kDOI Listing
February 2016

Diffusion in Li₂O studied by non-equilibrium molecular dynamics for 873 < T/K < 1603.

Phys Chem Chem Phys 2015 Sep 29;17(33):21470-5. Epub 2015 Jul 29.

Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, UK.

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http://dx.doi.org/10.1039/c5cp02628hDOI Listing
September 2015

Isotopic studies of the ammonia decomposition reaction mediated by sodium amide.

Phys Chem Chem Phys 2015 Sep 13;17(35):22999-3006. Epub 2015 Aug 13.

ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, OX11 0QX, UK.

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http://dx.doi.org/10.1039/c5cp03560kDOI Listing
September 2015

Ammonia decomposition catalysis using non-stoichiometric lithium imide.

Chem Sci 2015 Jul 7;6(7):3805-3815. Epub 2015 May 7.

ISIS Facility , Rutherford Appleton Laboratory , Harwell Oxford , Didcot , OX11 0QX , UK . Email:

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http://dx.doi.org/10.1039/c5sc00205bDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5707451PMC
July 2015

Hydrogen production from ammonia using sodium amide.

J Am Chem Soc 2014 Sep 22;136(38):13082-5. Epub 2014 Jun 22.

ISIS Facility, Rutherford Appleton Laboratory , Harwell Oxford, Didcot OX11 0QX, U.K.

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http://dx.doi.org/10.1021/ja5042836DOI Listing
September 2014

In situ X-ray powder diffraction studies of hydrogen storage and release in the Li-N-H system.

Phys Chem Chem Phys 2014 Mar;16(9):4061-70

Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, UK.

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http://dx.doi.org/10.1039/c4cp00087kDOI Listing
March 2014

Molecular dynamics investigation of the disordered crystal structure of hexagonal LiBH4.

Phys Chem Chem Phys 2013 Jun 13;15(21):8081-7. Epub 2013 Feb 13.

ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxfordshire, OX11 0QX, UK.

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http://dx.doi.org/10.1039/c3cp44520hDOI Listing
June 2013

Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host.

Nat Chem 2012 Nov 23;4(11):887-94. Epub 2012 Sep 23.

School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK.

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http://dx.doi.org/10.1038/nchem.1457DOI Listing
November 2012

Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange.

Faraday Discuss 2011 ;151:19-36; discussion 95-115

School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK.

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http://dx.doi.org/10.1039/c1fd00006cDOI Listing
April 2012

Effective hydrogen storage: a strategic chemistry challenge.

Faraday Discuss 2011 ;151:399-414

ISIS Facility, Rutherford Appleton Laboratory, Harwell Science & Innovation Campus, Chilton, Oxon, OX11 0QX, UK.

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http://dx.doi.org/10.1039/c1fd00105aDOI Listing
April 2012

Ab initio nonequilibrium molecular dynamics in the solid superionic conductor LiBH4.

Phys Rev Lett 2012 Mar 29;108(9):095901. Epub 2012 Feb 29.

Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, United Kingdom.

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http://dx.doi.org/10.1103/PhysRevLett.108.095901DOI Listing
March 2012

Nature of the band gap and origin of the conductivity of PbO2 revealed by theory and experiment.

Phys Rev Lett 2011 Dec 7;107(24):246402. Epub 2011 Dec 7.

School of Chemistry and CRANN, Trinity College Dublin, Dublin 2, Ireland.

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http://dx.doi.org/10.1103/PhysRevLett.107.246402DOI Listing
December 2011

Two new cluster ions, Ga[GaH3]4(5-) with a neopentane structure in Rb8Ga5H15 and [GaH2]n(n-) with a polyethylene structure in Rb(n)(GaH2)n, represent a new class of compounds with direct Ga-Ga bonds mimicking common hydrocarbons.

J Am Chem Soc 2011 Sep 23;133(37):14574-7. Epub 2011 Aug 23.

Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden.

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http://dx.doi.org/10.1021/ja2067687DOI Listing
September 2011

A combined experimental inelastic neutron scattering, Raman and ab initio lattice dynamics study of α-lithium amidoborane.

Phys Chem Chem Phys 2011 Jul 2;13(26):12249-53. Epub 2011 Jun 2.

Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, UK.

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http://dx.doi.org/10.1039/c1cp20587kDOI Listing
July 2011

Potassium(I) amidotrihydroborate: structure and hydrogen release.

J Am Chem Soc 2010 Sep;132(34):11836-7

Materials Physics and Applications Division, Los Alamos National Laboratory, Mail Stop J514, Los Alamos, New Mexico 87545, USA.

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http://dx.doi.org/10.1021/ja100167zDOI Listing
September 2010

Diffusion-equation method for crystallographic figure of merits.

Acta Crystallogr A 2010 Sep 22;66(Pt 5):591-6. Epub 2010 Jul 22.

ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, UK.

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http://scripts.iucr.org/cgi-bin/paper?S0108767310021380
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http://dx.doi.org/10.1107/S0108767310021380DOI Listing
September 2010

Stepwise phase transition in the formation of lithium amidoborane.

Inorg Chem 2010 May;49(9):4319-23

Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian 116023, People's Republic of China.

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http://dx.doi.org/10.1021/ic100308jDOI Listing
May 2010

The monoammoniate of lithium borohydride, Li(NH3)BH4: an effective ammonia storage compound.

Chem Asian J 2009 Jun;4(6):849-54

Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR, United Kingdom.

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http://dx.doi.org/10.1002/asia.200900051DOI Listing
June 2009

Structure and phase behavior of the expanded-metal compound 7Li(ND3)4.

Angew Chem Int Ed Engl 2009 ;48(8):1435-8

ISIS Facility, STFC-Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire, UK.

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http://dx.doi.org/10.1002/anie.200804339DOI Listing
March 2009

Isotopic polymorphism in pyridine.

Angew Chem Int Ed Engl 2009 ;48(4):755-7

School of Chemistry, The University of Edinburgh, West Mains Road, Edinburgh EH3 3JJ, Scotland.

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http://doi.wiley.com/10.1002/anie.200803589
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http://dx.doi.org/10.1002/anie.200803589DOI Listing
January 2009

Tuning the decomposition temperature in complex hydrides: synthesis of a mixed alkali metal borohydride.

Angew Chem Int Ed Engl 2008 ;47(15):2817-9

Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR, UK.

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http://dx.doi.org/10.1002/anie.200704949DOI Listing
April 2008

Solid phases of cyclopentane: combined experimental and simulation study.

J Phys Chem B 2008 Mar 5;112(12):3746-58. Epub 2008 Mar 5.

Davy Faraday Research Laboratory (DFRL), Kathleen Lonsdale Building, Gower Street, WC1E 6BT London, United Kingdom.

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http://dx.doi.org/10.1021/jp710017yDOI Listing
March 2008

High-capacity hydrogen storage in lithium and sodium amidoboranes.

Nat Mater 2008 Feb 23;7(2):138-41. Epub 2007 Dec 23.

Department of Physics, National University of Singapore, Singapore 117542, Singapore.

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http://dx.doi.org/10.1038/nmat2081DOI Listing
February 2008

Urea-N,N-dimethyl-acetamide (1/1).

Acta Crystallogr Sect E Struct Rep Online 2008 Jan 4;64(Pt 2):o355. Epub 2008 Jan 4.

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http://dx.doi.org/10.1107/S1600536807067232DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960435PMC
January 2008

Synthesis and structure of the new complex hydride Li2BH4NH2.

Chem Commun (Camb) 2007 Dec 23(45):4770-2. Epub 2007 Oct 23.

School of Chemistry, The University of Birmingham, Edgbaston, Birmingham, UK B15 2TT.

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http://xlink.rsc.org/?DOI=b711111h
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http://dx.doi.org/10.1039/b711111hDOI Listing
December 2007

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

J Am Chem Soc 2007 Dec 23;129(50):15606-14. Epub 2007 Nov 23.

Department of Chemistry, University of Sheffield, Sheffield S3 7HF, United Kingdom.

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http://dx.doi.org/10.1021/ja075265tDOI Listing
December 2007

A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction.

J Am Chem Soc 2007 Feb 23;129(6):1594-601. Epub 2007 Jan 23.

ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX, UK.

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http://dx.doi.org/10.1021/ja066016sDOI Listing
February 2007

Synthesis and crystal structure of Li4BH4(NH2)3.

Chem Commun (Camb) 2006 Jun 16(23):2439-41. Epub 2006 Feb 16.

School of Chemistry, University of Birmingham, Edgbaston, Birmingham, UKB15 2TT.

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http://xlink.rsc.org/?DOI=b518243c
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http://dx.doi.org/10.1039/b518243cDOI Listing
June 2006

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

Acta Crystallogr B 2006 Apr 15;62(Pt 2):287-95. Epub 2006 Mar 15.

Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, England.

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http://dx.doi.org/10.1107/S0108768105042102DOI Listing
April 2006

Pressure-induced formation of a solvate of paracetamol.

Chem Commun (Camb) 2003 Dec(24):3004-5

School of Chemistry, The University of Edinburgh, King's Buildings, West Mains Road, Edinburgh, Scotland, UK EH9 3JJ.

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http://dx.doi.org/10.1039/b310394cDOI Listing
December 2003

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

J Pharm Sci 2003 Sep;92(9):1930-8

Department of Pharmaceutical Sciences, University of Strathclyde, Glasgow G4 0NR, UK.

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http://dx.doi.org/10.1002/jps.10459DOI Listing
September 2003

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

Acta Crystallogr A 2002 Sep 1;58(Pt 5):441-7. Epub 2002 Sep 1.

ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, England.

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http://dx.doi.org/10.1107/s010876730200911xDOI Listing
September 2002

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

Chem Commun (Camb) 2002 Sep(17):1976-7

Department of Biomolecular Sciences, University of Manchester Institute of Science and Technology, Sackville Street, P.O. Box 88, Manchester, UK M60 1QD.

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http://dx.doi.org/10.1039/b204289dDOI Listing
September 2002

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

Acta Crystallogr A 2002 Jul 1;58(Pt 4):316-26. Epub 2002 Jul 1.

ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, England.

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http://dx.doi.org/10.1107/s010876730200510xDOI Listing
July 2002