An improved experimental databank of transferable multipolar atom models – ELMAM2. Construction details and applications

Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases

(2011) Joanna Maria Bąk et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Charge-density analysis of 1-nitroindoline: refinement quality using freeRfactors and restraints

(2011) Bartosz Zarychta et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

2,2′-(Ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100 K refined using a multipolar atom model

(2011) Maqsood Ahmed et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

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

(2010) Sławomir Domagała et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

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

Charge density and electrostatic potential analyses in paracetamol

(2009) Nouzha Bouhmaida et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Trans-cinnamic acid and coumarin-3-carboxylic acid: experimental charge-density studies to shed light on [2 + 2] cycloaddition reactions

(2009) Judith A. K. Howard 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

Determination of Experimental Charge Density in Model Nickel Macrocycle: [3,11-Bis(methoxycarbonyl)-1,5,9,13-tetraazacyclohexadeca-1,3,9,11-tetraenato-(2-)-κ4N]nickel(II)

(2009) Sławomir Domagała et al.   INORGANIC CHEMISTRY

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

Comparative experimental electron density and electron localization function study of thymidine based on 20 K X-ray diffraction data

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

Charge-density studies of energetic materials: CL-20 and FOX-7

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

[Rh(C7H8)(PPh3)Cl]: an experimental charge-density study

(2008) Hazel A. Sparkes et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

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

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

Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate

(2008) Martin Lutz et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case

(2008) Benoît Guillot et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Optimal local axes and symmetry assignment for charge-density refinement

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