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Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

Journal of chemical theory and computation, 2018-03, Vol.14 (3), p.1614-1623

2018

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A novel cobalt() acetate complex bearing lutidine ligand: a promising electrocatalyst for oxygen evolution reaction

RSC advances, 2023-08, Vol.13 (35), p.2445-24459

2023

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The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals

Molecules (Basel, Switzerland), 2022-06, Vol.27 (12), p.3690

2022

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Organic alloys of room temperature liquids thiophenol and selenophenol

Chemical communications (Cambridge, England), 2015-01, Vol.51 (75), p.14255-14258

2015

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Tuning of bandgaps and emission properties of light-emitting diode materials through homogeneous alloying in molecular crystals

Chemical science (Cambridge), 2021-09, Vol.12 (37), p.12391-12399

2021

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Evaluation of DNA binding, antioxidant and cytotoxic activity of mononuclear Co(III) complexes of 2-oxo-1,2-dihydrobenzo[h]quinoline-3-carbaldehyde thiosemicarbazones

European journal of medicinal chemistry, 2012-04, Vol.50, p.405-415

2012

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Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds

IUCrJ, 2018-09, Vol.5 (Pt 5), p.635-646

2018

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Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals

Chemical communications (Cambridge, England), 2015-03, Vol.51 (18), p.3735-3738

2015

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The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi‐isotropic Crystal Packing

Angewandte Chemie International Edition, 2017-07, Vol.56 (29), p.8468-8472

International ed. in English, 2017

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Conformational preferences in a series of α-hydroxy ketone derivatives: interplay of conformational energies and lattice cohesive energies

CrystEngComm, 2022-10, Vol.24 (41), p.736-7314

2022

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'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks

Chemical communications (Cambridge, England), 2016-01, Vol.52 (10), p.2141-2144

2016

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Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (46), p.31811-31820

2016

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Synthesis, Characterization, and Catalysis of Water‐Soluble Trimeric and Monomeric Palladium Complexes of 8‐Aminoquinolines

European journal of inorganic chemistry, 2023-01, Vol.26 (1), p.n/a

2023

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Mechanical Tuning of Fluorescence Lifetime and Bandgap in an Elastically Flexible Molecular Semiconductor Crystal

Small (Weinheim an der Bergstrasse, Germany), 2024-08, p.e2406184

2024

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Experimental evidence for 'carbon bonding' in the solid state from charge density analysis

Chemical communications (Cambridge, England), 2014-01, Vol.50 (1), p.49-51

2014

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Dynamic Covalent Bonds in the Ebselen Class of Antioxidants Probed by X‐ray Quantum Crystallography

Chemistry : a European journal, 2024-03, Vol.30 (14), p.e202303384-n/a

2024

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Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

Angewandte Chemie International Edition, 2022-02, Vol.61 (6), p.e202110716-n/a

International ed. in English, 2022

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The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se−Se/Te−Te Bonds

Angewandte Chemie International Edition, 2023-11, Vol.62 (45), p.e202311044-e202311044

International ed. in English, 2023

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Non‐Classical Synthons: Supramolecular Recognition by S⋅⋅⋅O Chalcogen Bonding in Molecular Complexes of Riluzole

Chemistry : a European journal, 2019-03, Vol.25 (14), p.3591-3597

2019

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S···O chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (38), p.25411-25420

2015

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Unusually Short Chalcogen Bonds Involving Organoselenium: Insights into the Se-N Bond Cleavage Mechanism of the Antioxidant Ebselen and Analogues

Chemistry : a European journal, 2015-04, Vol.21 (18), p.6793-6800

2015

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Large Local Internal Stress in an Elastically Bent Molecular Crystal Revealed by Raman Shifts

Small (Weinheim an der Bergstrasse, Germany), 2024-07, p.e2402120

2024

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Bandgap Tuning in Molecular Alloy Crystals Formed by Weak Chalcogen Interactions

The journal of physical chemistry letters, 2021-04, Vol.12 (12), p.3059-3065

2021

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High Throughput Profiling of Molecular Shapes in Crystals

Scientific reports, 2016-02, Vol.6 (1), p.22204-22204, Article 22204

2016

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Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host–Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis

Journal of the American Chemical Society, 2019-03, Vol.141 (9), p.3965-3976

2019

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Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

A novel cobalt() acetate complex bearing lutidine ligand: a promising electrocatalyst for oxygen evolution reaction

The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals

Organic alloys of room temperature liquids thiophenol and selenophenol

Tuning of bandgaps and emission properties of light-emitting diode materials through homogeneous alloying in molecular crystals

Evaluation of DNA binding, antioxidant and cytotoxic activity of mononuclear Co(III) complexes of 2-oxo-1,2-dihydrobenzo[h]quinoline-3-carbaldehyde thiosemicarbazones

Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds

Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals

The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi‐isotropic Crystal Packing

Conformational preferences in a series of α-hydroxy ketone derivatives: interplay of conformational energies and lattice cohesive energies

'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks

Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination

Synthesis, Characterization, and Catalysis of Water‐Soluble Trimeric and Monomeric Palladium Complexes of 8‐Aminoquinolines

Mechanical Tuning of Fluorescence Lifetime and Bandgap in an Elastically Flexible Molecular Semiconductor Crystal

Experimental evidence for 'carbon bonding' in the solid state from charge density analysis

Dynamic Covalent Bonds in the Ebselen Class of Antioxidants Probed by X‐ray Quantum Crystallography

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se−Se/Te−Te Bonds

Non‐Classical Synthons: Supramolecular Recognition by S⋅⋅⋅O Chalcogen Bonding in Molecular Complexes of Riluzole

S···O chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide

Unusually Short Chalcogen Bonds Involving Organoselenium: Insights into the Se-N Bond Cleavage Mechanism of the Antioxidant Ebselen and Analogues

Large Local Internal Stress in an Elastically Bent Molecular Crystal Revealed by Raman Shifts

Bandgap Tuning in Molecular Alloy Crystals Formed by Weak Chalcogen Interactions

High Throughput Profiling of Molecular Shapes in Crystals

Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host–Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis

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