Contemporary X-ray electron-density studies using synchrotron radiation

A First Experimental Electron Density Study on a C70 Fullerene: (C70C2F5)10

(2015) Roman Kalinowski et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES

Host Perturbation in a β-Hydroquinone Clathrate Studied by Combined X-ray/Neutron Charge-Density Analysis: Implications for Molecular Inclusion in Supramolecular Entities

(2014) Henrik F. Clausen et al.   CHEMISTRY-A EUROPEAN JOURNAL

Experimental determination of electrostatic properties of Na–X zeolite from high resolution X-ray diffraction

(2014) F. F. Porcher et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond

(2014) Ayoub Nassour et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments

(2014) Maxime Deutsch et al.   IUCrJ

Comparative study of X-ray charge-density data on CoSb3

(2013) Mette Stokkebro Schmøkel et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Direct Evidence of Cation Disorder in Thermoelectric Lead Chalcogenides PbTe and PbS

(2013) Sofie Kastbjerg et al.   ADVANCED FUNCTIONAL MATERIALS

Diffraction studies under in situ electric field using a large-area hybrid pixel XPAD detector

(2013) Pierre Fertey et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Experimental evidence of orbital order inα-B12andγ-B28polymorphs of elemental boron

(2013) Swastik Mondal et al.   PHYSICAL REVIEW B

Charge Density Analysis of an Organic Ferroelectric. Croconic Acid: an Experimental and Theoretical Study

(2013) Vladimir V. Zhurov et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Experimental Electron Density Studies of Inorganic Materials

(2013) Mette Stokkebro Schmøkel et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Atomic properties and chemical bonding in the pyrite and marcasite polymorphs of FeS2: a combined experimental and theoretical electron density study

(2013) Mette S. Schmøkel et al.   Chemical Science

Experimental determination of core electron deformation in diamond

(2013) Niels Bindzus et al.   Acta Crystallographica A-Foundation and Advances

On the significance of Bragg reflections

(2012) Mads Ry Vogel Jørgensen et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Maximum-entropy-method charge densities based on structure-factor extraction with the commonly used Rietveld refinement programsGSAS,FullProfandJana2006

(2012) Niels Bindzus et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Experimental dynamic electron densities of multipole models at different temperatures

(2012) Swastik Mondal et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data

(2012) Maxime Deutsch et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Invariom modeling of ceftazidime pentahydrate: molecular properties from a 200 second synchrotron microcrystal experiment

(2012) C. J. Schürmann et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Pushing X-ray Electron Densities to the Limit: Thermoelectric CoSb3

(2012) Mette Stokkebro Schmøkel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO)2(H2O)2

(2012) Mads R. V. Jørgensen et al.   INORGANIC CHEMISTRY

Can a Formally Zwitterionic Rhodium(I) Complex Emulate the Charge Density of a Cationic Rhodium(I) Complex? A Combined Synchrotron X-ray and Theoretical Charge-Density Study

(2012) El-Eulmi Bendeif et al.   INORGANIC CHEMISTRY

Testing the Concept of Hypervalency: Charge Density Analysis of K2SO4

(2012) Mette S. Schmøkel et al.   INORGANIC CHEMISTRY

Anharmonic Motion in Experimental Charge Density Investigations

(2012) Regine Herbst-Irmer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Debye–Scherrer camera at synchrotron sources: a revisit

(2012) Tine Straasø et al.   JOURNAL OF SYNCHROTRON RADIATION

A Structural Diagnostics Diagram for Metallofullerenes Encapsulating Metal Carbides and Nitrides

(2012) Sachiko Maki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions

(2011) Lilianna Chęcińska et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Optimal fine ϕ-slicing for single-photon-counting pixel detectors

(2011) Marcus Mueller et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

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

Intermolecular Interactions and Electrostatic Properties of the β-Hydroquinone Apohost: Implications for Supramolecular Chemistry

(2011) Henrik F. Clausen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and Theoretical Charge Density Studies at Subatomic Resolution

(2011) A. Fischer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The high-pressure phase of boron, γ-B28: Disputes and conclusions of 5 years after discovery

(2011) A. R. Oganov et al.   Journal of Superhard Materials

Electron-Deficient and Polycenter Bonds in the High-Pressureγ−B28Phase of Boron

(2011) Swastik Mondal et al.   PHYSICAL REVIEW LETTERS

Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond

(2010) H. Svendsen et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Quantifying instrument errors in macromolecular X-ray data sets

(2010) Kay Diederichs   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes

(2010) Stefan Mebs et al.   INORGANIC CHEMISTRY

Charge Transfer via the Dative N−B Bond and Dihydrogen Contacts. Experimental and Theoretical Electron Density Studies of Small Lewis Acid−Base Adducts

(2010) Stefan Mebs et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and theoretical study of electron density and structure factors in CoSb3

(2010) R. Sæterli et al.   ULTRAMICROSCOPY

Charge-density study on cyclosporine A

(2009) S. K. J. Johnas et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Role of Water in Directing Diphenylalanine Assembly into Nanotubes and Nanowires

(2009) Jangbae Kim et al.   ADVANCED MATERIALS

How to Make the Ionic Si−O Bond More Covalent and the Si−O−Si Linkage a Better Acceptor for Hydrogen Bonding†

(2009) Simon Grabowsky et al.   INORGANIC CHEMISTRY

A comparison of a microfocus X-ray source and a conventional sealed tube for crystal structure determination

(2009) Thomas Schulz et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Performance of single-photon-counting PILATUS detector modules

(2009) P. Kraft et al.   JOURNAL OF SYNCHROTRON RADIATION

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

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

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

Ionic high-pressure form of elemental boron

(2009) Artem R. Oganov et al.   NATURE

The maximum entropy method in accurate charge-density studies

(2009) Sander van Smaalen et al.   PHYSICA SCRIPTA

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

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

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

Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffraction

(2008) Jacob Overgaard et al.   DALTON TRANSACTIONS

Ultrahigh-resolution crystallography and related electron density and electrostatic properties in proteins

(2008) Claude Lecomte et al.   JOURNAL OF SYNCHROTRON RADIATION

Synchrotron X-ray Charge Density Study of Coordination Polymer Co3(C8H4O4)4(C4H12N)2(C5H11NO)3at 16 K

(2008) H. F. Clausen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental and Theoretical Charge Density Study of Chemical Bonding in a Co Dimer Complex

(2008) Jacob Overgaard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental visualization of lithium diffusion in Li x FePO4

(2008) Shin-ichi Nishimura et al.   NATURE MATERIALS

Charge density distribution ofKMnF3under high pressure

(2008) S. Aoyagi et al.   PHYSICAL REVIEW B

Out-of-equilibrium charge density distribution of spin crossover complexes from steady-state photocrystallographic measurements: experimental methodology and results

(2008) Sébastien Pillet et al.   ZEITSCHRIFT FUR KRISTALLOGRAPHIE