Experimental Electron Density Studies of Inorganic Materials

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

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

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

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

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

Testing the Concept of Hypervalency: Charge Density Analysis of K2SO4

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

Domain-averaged Fermi-hole analysis for solids

(2012) Alexey I. Baranov et al.   JOURNAL OF CHEMICAL PHYSICS

Advances in Understanding of Chemical Bonding: Inputs from Experimental and Theoretical Charge Density Analysis

(2012) Deepak Chopra   JOURNAL OF PHYSICAL CHEMISTRY A

Anharmonic Motion in Experimental Charge Density Investigations

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

Meaningful Structural Descriptors from Charge Density

(2011) Dietmar Stalke    CHEMISTRY-A EUROPEAN JOURNAL

Experimental Charge Density Analysis of a Gallium(I) N-Heterocyclic Carbene Analogue

(2011) Jacob Overgaard et al.   INORGANIC CHEMISTRY

Bond indices in solids: Extended analytical model

(2011) Robert Ponec   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electron localization and delocalization indices for solids

(2011) Alexey I. Baranov et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental and Theoretical Charge Density Studies at Subatomic Resolution

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

Characterization of Bonding in Cesium Uranyl Chloride: Topological Analysis of the Experimental Charge Density

(2011) Vladimir V. Zhurov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

Superconductivity in Quasi One-Dimensional Carbides

(2010) Wolfgang Scherer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2010) R. Sæterli et al.   ULTRAMICROSCOPY

Using the Source Function descriptor to dampen the multipole model bias in charge density studies from X-ray structure factors refinements

(2009) Leonardo Lo Presti et al.   CHEMICAL PHYSICS LETTERS

High- and Low-Temperature Modifications of Sc3RuC4and Sc3OsC4—Relativistic Effects, Structure, and Chemical Bonding

(2009) Christian Vogt et al.   INORGANIC CHEMISTRY

Do the Structural Changes Defined by the Electron Density Topology Necessarily Affect the Picture of the Bonding?

(2009) Robert Ponec et al.   INORGANIC CHEMISTRY

On the Interpretation of the Source Function

(2009) Louis J. Farrugia et al.   JOURNAL OF PHYSICAL CHEMISTRY A

X-ray diffractometry for the structure determination of a submicrometre single powder grain

(2009) Nobuhiro Yasuda et al.   JOURNAL OF SYNCHROTRON RADIATION

The maximum entropy method in accurate charge-density studies

(2009) Sander van Smaalen et al.   PHYSICA SCRIPTA

Electron density distribution in hexagonal cobalt: Aγ-ray diffraction study

(2009) W. Jauch et al.   PHYSICAL REVIEW B

X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations

(2008) Dylan Jayatilaka et al.   ACTA CRYSTALLOGRAPHICA SECTION A

The role of electronic delocalization in transition metal complexes from the electron localization function and the quantum theory of atoms in molecules viewpoints

(2008) Eduard Matito et al.   COORDINATION CHEMISTRY REVIEWS

Optimization and evaluation of data quality for charge density studies

(2008) Vladimir V. Zhurov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

The Shell Structure of Atoms

(2008) Georg Eickerling et al.   Journal of Chemical Theory and Computation

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

The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CFCF(η5-C5H4)}(η5-C5H5)2Fe2

(2008) Louis J. Farrugia 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