Topological features and electronic structure of 4-chloro-1H-pyrrolo[2,3-b]pyridine: experimental charge density analysis and DFT studies

Halogen Bonding in 2,5-Dichloro-1,4-benzoquinone: Insights from Experimental and Theoretical Charge Density Analysis

(2011) Venkatesha R. Hathwar et al.   CRYSTAL GROWTH & DESIGN

Charge Density Analysis of Heterohalogen (Cl···F) and Homohalogen (F···F) Intermolecular Interactions in Molecular Crystals: Importance of the Extent of Polarizability

(2011) Venkatesha R. Hathwar et al.   CRYSTAL GROWTH & DESIGN

Exploring the bond topological and electrostatic properties of benzimidazole molecule via experimental and theoretical charge density study

(2011) Arputharaj David Stephen et al.   JOURNAL OF MOLECULAR STRUCTURE

On the effect of neglecting anharmonic nuclear motion in charge density studies

(2010) Kathrin Meindl et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Electron density studies on hydrogen bonding in two chromone derivatives

(2010) Magdalena Małecka et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

An experimental charge density of HEPES

(2010) Paweł Śledź et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Nature of Cl···Cl Intermolecular Interactions via Experimental and Theoretical Charge Density Analysis: Correlation of Polar Flattening Effects with Geometry

(2010) Venkatesha R. Hathwar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental charge-density study of paracetamol – multipole refinement in the presence of a disordered methyl group

(2009) Joanna M. Bąk et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Towards the best model for H atoms in experimental charge-density refinement

(2009) Anna A. Hoser et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Weak interactions in chain polymers [M(μ-X)2L2]∞(M= Zn, Cd;X= Cl, Br;L= substituted pyridine) – an electron density study

(2009) Ruimin Wang et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Transferability and reproducibility in electron-density studies – bond-topological and atomic properties of tripeptides of the typeL-alanyl-X-L-alanine

(2009) Simon Grabowsky et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Weak intra- and intermolecular interactions in a binaphthol imine: an experimental charge-density study on (±)-8′-benzhydrylideneamino-1,1′-binaphthyl-2-ol

(2009) Louis J. Farrugia et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

The Nature of Halogen⋅⋅⋅Halogen Interactions: A Model Derived from Experimental Charge-Density Analysis

(2009) Thai Thanh Thu Bui et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Experimental and Theoretical Charge Density Study of Polymorphic Isonicotinamide−Oxalic Acid Molecular Complexes with Strong O···H···N Hydrogen Bonds

(2009) Marc Schmidtmann et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Halogen Bonding: A Study based on the Electronic Charge Density

(2009) Nancy J. Martinez Amezaga et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains

(2009) Rasmus D. Poulsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

(2008) Kevin E. Riley et al.   Journal of Chemical Theory and Computation

Blue shifts vs red shifts in σ-hole bonding

(2008) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING