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

Organic alloys of room temperature liquids thiophenol and selenophenol

(2015) Sajesh P. Thomas et al.   CHEMICAL COMMUNICATIONS

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

(2015) Michael J. Turner et al.   CHEMICAL COMMUNICATIONS

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

(2015) Sajesh P. Thomas et al.   CHEMISTRY-A EUROPEAN JOURNAL

“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding

(2015) Sajesh P. Thomas et al.   CRYSTAL GROWTH & DESIGN

Intramolecular S···O Chalcogen Bond as Stabilizing Factor in Geometry of Substituted Phenyl-SF3 Molecules

(2015) Vincent de Paul N. Nziko et al.   JOURNAL OF ORGANIC CHEMISTRY

Experimental validation of ‘pnicogen bonding’ in nitrogen by charge density analysis

(2015) Sounak Sarkar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals

(2015) Geetha Bolla et al.   IUCrJ

Tautomeric Preference and Conformation Locking in Fenobam, Thiofenobam, and Their Analogues: The Decisive Role of Hydrogen Bond Hierarchy

(2014) Sajesh P. Thomas et al.   CRYSTAL GROWTH & DESIGN

Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole

(2014) Ioana Sovago et al.   CRYSTAL GROWTH & DESIGN

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

(2014) Michael J. Turner et al.   Journal of Physical Chemistry Letters

Stereoelectronic Effects Dictate Molecular Conformation and Biological Function of Heterocyclic Amides

(2014) Robert C. Reid et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hirshfeld atom refinement for modelling strong hydrogen bonds

(2014) Magdalena Woińska et al.   Acta Crystallographica A-Foundation and Advances

Hirshfeld atom refinement

(2014) Silvia C. Capelli et al.   IUCrJ

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

(2013) Sajesh P. Thomas et al.   CHEMICAL COMMUNICATIONS

Chalcogen Bonding: Experimental and Theoretical Determinations from Electron Density Analysis. Geometrical Preferences Driven by Electrophilic–Nucleophilic Interactions

(2013) Mariya E. Brezgunova et al.   CRYSTAL GROWTH & DESIGN

A Donor–Acceptor–Donor Structured Organic Conductor with S···S Chalcogen Bonding

(2013) Monalisa Bai et al.   CRYSTAL GROWTH & DESIGN

Controlling Conformations of Conjugated Polymers and Small Molecules: The Role of Nonbonding Interactions

(2013) Nicholas E. Jackson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The X–C⋯Y (X = O/F, Y = O/S/F/Cl/Br/N/P) ‘carbon bond’ and hydrophobic interactions

(2013) Devendra Mani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Halogen bonding and other σ-hole interactions: a perspective

(2013) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Pnicogen Bond: Its Relation to Hydrogen, Halogen, and Other Noncovalent Bonds

(2012) Steve Scheiner   ACCOUNTS OF CHEMICAL RESEARCH

The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X-ray Diffraction Data

(2012) Simon Grabowsky et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities

(2012) Sajesh P. Thomas et al.   CHEMICAL COMMUNICATIONS

Charge Density Analysis of Ferulic Acid: Robustness of a Trifurcated C–H···O Hydrogen Bond

(2012) Sajesh P. Thomas et al.   CRYSTAL GROWTH & DESIGN

Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding

(2012) Debasish Manna et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Can a C–H···O Interaction Be a Determinant of Conformation?

(2012) Christopher R. Jones et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Halogen and chalcogen team up

(2012) Pierangelo Metrangolo et al.   Nature Chemistry

Meaningful Structural Descriptors from Charge Density

(2011) Dietmar Stalke    CHEMISTRY-A EUROPEAN JOURNAL

Reactivity Differences between α,β-Unsaturated Carbonyls and Hydrazones Investigated by Experimental and Theoretical Electron Density and Electron Localizability Analyses

(2011) Simon Grabowsky et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An AAAA–DDDD quadruple hydrogen-bond array

(2011) Barry A. Blight et al.   Nature Chemistry

Phenylboronic acids in crystal engineering: Utility of the energetically unfavorable syn,syn-conformation in co-crystal design

(2011) Sunil Varughese et al.   Science China-Chemistry

Bond lengths in organic and metal-organic compounds revisited: X—H bond lengths from neutron diffraction data

(2010) Frank H. Allen et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Polymorphism in Secondary Benzene Sulfonamides

(2010) Palash Sanphui et al.   CRYSTAL GROWTH & DESIGN

Co-Crystals of Active Pharmaceutical Ingredients - Acetazolamide

(2010) Jenniffer I. Arenas-García et al.   CRYSTAL GROWTH & DESIGN

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

(2010) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chalcogen Bond: A Sister Noncovalent Bond to Halogen Bond

(2009) Weizhou Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results

(2008) Parthapratim Munshi et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Halogen Bonding in Supramolecular Chemistry

(2008) Pierangelo Metrangolo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Simultaneous σ-hole and hydrogen bonding by sulfur- and selenium-containing heterocycles

(2008) Jane S. Murray et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Direct Space Decomposition of ELI-D: Interplay of Charge Density and Pair-Volume Function for Different Bonding Situations

(2008) Frank R. Wagner et al.   JOURNAL OF PHYSICAL CHEMISTRY A