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The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment –Olex2 dissected

Acta crystallographica. Section A, Foundations and advances, 2015-01, Vol.71 (1), p.59-75

2015

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Synthesis of 2- and 2,7-Functionalized Pyrene Derivatives: An Application of Selective CH Borylation

Chemistry : a European journal, 2012-04, Vol.18 (16), p.5022-5035

2012

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Negative Linear Compressibility of a Metal–Organic Framework

Journal of the American Chemical Society, 2012-07, Vol.134 (29), p.11940-11943

2012

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Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth

Nature chemistry, 2010-12, Vol.2 (12), p.1037-1043

2010

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OLEX2: a complete structure solution, refinement and analysis program

Journal of applied crystallography, 2009-04, Vol.42 (2), p.339-341

2009

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A Systemic Framework for Trauma-Informed Schooling: Complex but Necessary

Journal of aggression, maltreatment & trauma, 2019-05, Vol.28 (5), p.545-565

Howard, Judith A.

2019

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Interplay between spin crossover and proton migration along short strong hydrogen bonds

Chemical science (Cambridge), 2020-11, Vol.12 (3), p.138-153

2020

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Structure of organic solids at low temperature and high pressure

Chemical Society reviews, 2014-07, Vol.43 (13), p.43-4311

2014

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Refining the Interpretation of Near-Infrared Band Shapes in a Polyynediyl Molecular Wire

Chemistry : a European journal, 2013-07, Vol.19 (30), p.9780-9784

2013

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Gas Adsorption Sites in a Large-Pore Metal-Organic Framework

Science (American Association for the Advancement of Science), 2005-08, Vol.309 (5739), p.1350-1354

2005

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A Reversible Hydrogen‐Bond Isomerization Triggered by an Abrupt Spin Crossover near Room Temperature

Chemistry : a European journal, 2021-01, Vol.27 (2), p.740-750

2021

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Resolving alternative organic crystal structures using density functional theory and NMR chemical shifts

Chemical science (Cambridge), 2020-03, Vol.11 (11), p.2987-2992

2020

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Low temperature insights into the crystal and magnetic structure of a neutral radical ferromagnet

Chemical communications (Cambridge, England), 2021-10, Vol.57 (79), p.1238-1241

2021

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Cutting-Edge Techniques Used for the Structural Investigation of Single Crystals

Science (American Association for the Advancement of Science), 2014-03, Vol.343 (6175), p.1098-1102

2014

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Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands

Journal of the American Chemical Society, 2011-11, Vol.133 (45), p.18433-18446

2011

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Being Excited by Lanthanide Coordination Complexes: Aqua Species, Chirality, Excited-State Chemistry, and Exchange Dynamics

Chemical reviews, 2002-06, Vol.102 (6), p.1977-2010

2002

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Experimental and Theoretical Studies of Quadrupolar Oligothiophene-Cored Chromophores Containing Dimesitylboryl Moieties as π-Accepting End-Groups: Syntheses, Structures, Fluorescence, and One- and Two-Photon Absorption

Chemistry : a European journal, 2014-10, Vol.20 (42), p.13618-13635

2014

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Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center

Inorganic chemistry, 2016-09, Vol.55 (17), p.9099-9104

2016

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Luminescent Iridium(III) Complexes with N∧C∧N-Coordinated Terdentate Ligands: Dual Tuning of the Emission Energy and Application to Organic Light-Emitting Devices

Inorganic chemistry, 2012-03, Vol.51 (6), p.3813-3826

2012

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Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study

Journal of the American Chemical Society, 2009-03, Vol.131 (11), p.4022-4026

2009

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Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

IUCrJ, 2018-01, Vol.5 (Pt 1), p.32-44

2018

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Simplifying the conductance profiles of molecular junctions: the use of the trimethylsilylethynyl moiety as a molecule-gold contact

Dalton transactions : an international journal of inorganic chemistry, 2013-01, Vol.42 (2), p.338-341

2013

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iotbx.cif: a comprehensive CIF toolbox

Journal of applied crystallography, 2011-12, Vol.44 (6), p.1259-1263

2011

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Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(CCC6H4R1‑4)2(dppe)2] n+ and [trans-Ru(CCC6H4R1‑4)(CCC6H4R2‑4)(dppe)2] n+ (n = 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm

Organometallics, 2014-09, Vol.33 (18), p.4947-4963

2014

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Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors

Journal of the American Chemical Society, 2012-02, Vol.134 (4), p.2264-2275

2012

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The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment –Olex2 dissected

Synthesis of 2- and 2,7-Functionalized Pyrene Derivatives: An Application of Selective CH Borylation

Negative Linear Compressibility of a Metal–Organic Framework

Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth

OLEX2: a complete structure solution, refinement and analysis program

A Systemic Framework for Trauma-Informed Schooling: Complex but Necessary

Interplay between spin crossover and proton migration along short strong hydrogen bonds

Structure of organic solids at low temperature and high pressure

Refining the Interpretation of Near-Infrared Band Shapes in a Polyynediyl Molecular Wire

Gas Adsorption Sites in a Large-Pore Metal-Organic Framework

A Reversible Hydrogen‐Bond Isomerization Triggered by an Abrupt Spin Crossover near Room Temperature

Resolving alternative organic crystal structures using density functional theory and NMR chemical shifts

Low temperature insights into the crystal and magnetic structure of a neutral radical ferromagnet

Cutting-Edge Techniques Used for the Structural Investigation of Single Crystals

Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands

Being Excited by Lanthanide Coordination Complexes: Aqua Species, Chirality, Excited-State Chemistry, and Exchange Dynamics

Experimental and Theoretical Studies of Quadrupolar Oligothiophene-Cored Chromophores Containing Dimesitylboryl Moieties as π-Accepting End-Groups: Syntheses, Structures, Fluorescence, and One- and Two-Photon Absorption

Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center

Luminescent Iridium(III) Complexes with N∧C∧N-Coordinated Terdentate Ligands: Dual Tuning of the Emission Energy and Application to Organic Light-Emitting Devices

Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

Simplifying the conductance profiles of molecular junctions: the use of the trimethylsilylethynyl moiety as a molecule-gold contact

iotbx.cif: a comprehensive CIF toolbox

Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(CCC6H4R1‑4)2(dppe)2] n+ and [trans-Ru(CCC6H4R1‑4)(CCC6H4R2‑4)(dppe)2] n+ (n = 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm

Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors

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