Structural analysis and multipole modelling of quercetin monohydrate – a quantitative and comparative study

Universal Features of the Electron Density Distribution in Hydrogen-Bonding Regions: A Comprehensive Study Involving H⋅⋅⋅X (X=H, C, N, O, F, S, Cl, π) Interactions

(2010) Ignasi Mata et al.   CHEMISTRY-A EUROPEAN JOURNAL

Experimental and Theoretical Charge Density Analysis of Polymorphic Structures: The Case of Coumarin 314 Dye

(2010) Parthapratim Munshi et al.   CRYSTAL GROWTH & DESIGN

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

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

How to easily replace the independent atom model – the example of bergenin, a potential anti-HIV agent of traditional Asian medicine

(2009) Birger Dittrich et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme–substrate complex: influenza neuraminidase inhibition

(2009) Paulina M. Dominiak et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Towards extracting the charge density from normal-resolution data

(2009) B. Dittrich et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase

(2009) Bertrand Fournier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Improvement of anisotropic displacement parameters from invariom-model refinements for threeL-hydroxylysine structures

(2008) B. Dittrich et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM

Optimal local axes and symmetry assignment for charge-density refinement

(2008) Sławomir Domagała et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material

(2007) Parthapratim Munshi et al.   CRYSTENGCOMM