scholarly journals Evaluating common QTAIM and NCI interpretations of the electron density concentration through IQA interaction energies and 1D cross-sections of the electron and deformation density distributions

2015 ◽  
Vol 1053 ◽  
pp. 60-76 ◽  
Author(s):  
Ignacy Cukrowski ◽  
Jurgens H. de Lange ◽  
Adedapo S. Adeyinka ◽  
Paidamwoyo Mangondo
Keyword(s):  
Electron Density ◽  
Cross Sections ◽  
Interaction Energies ◽  
Density Distributions ◽  
Deformation Density ◽  
Density Concentration

Die experimentelle Bestimmung der Elektronendichteverteilung in einem Chrom-Carben- sowie einem Chrom-Carbin-Komplex / The Experimental Determination of the Electronic Deformation Densities in a Chromium Carbene and a Chromium Carbyne Complex

1983 ◽  
Vol 38 (11) ◽  
pp. 1431-1440 ◽  
Author(s):  
C. Krüger ◽  
R. Goddard ◽  
K. H. Claus
Keyword(s):  
Experimental Determination ◽  
Single Crystals ◽  
Electron Density ◽  
Chromium Atom ◽  
X Ray ◽  
Density Distributions ◽  
Deformation Density ◽  
Metal Atoms ◽  
Chromium Carbene

Abstract The electronic deformation densities for pentacarbonylmethylethoxycarbenechromium I and chlorotetracarbonylethylidynechromium II have been experimentally determined using Neutron (for I) and X-ray diffracted intensities measured from single crystals at 100 K. A build up of electron density in all bonds and around each chromium atom is observed. Deformation density maxima are directed along the 3-fold axes of the approx-imately octahedrally coordinated metal atoms and presumably represent occupation of the t2g d-orbital set. The observed electron density distributions indicate that intermole-cular bonding has an important influence on the distribution of electron density in the molecules.

scholarly journals Die zeitliche Änderung der radialen Elektronendichteverteilung beim Theta-Pinch

1963 ◽  
Vol 18 (8-9) ◽  
pp. 895-900
Author(s):  
Franz Peter Küpper
Keyword(s):  
Density Distribution ◽  
Electron Density ◽  
Electron Density Distribution ◽  
Electron Distribution ◽  
Radial Symmetry ◽  
Zero Order ◽  
Time Interval ◽  
Interferometric Method ◽  
Density Distributions ◽  
Theta Pinch

In a θ-pinch the radial symmetry of the electron density distribution as a function of time has been measured by a MACH—ZEHNDER interferometer. In a time interval of 400 nsec during a discharge an image converter made three pictures (exposure times of 10 nsec each) . Up to 100 nsec after the first compression, the experimental results show different density distributions for the cases of trapped parallel and antiparallel magnetic fields. Complete radial symmetry of the electron density distribution was not found.Another interferometric method for measuring the radial symmetry of the electron distribution by observing “zero order” fringes is described.

scholarly journals Coronal electron density distributions estimated from CMEs, DH type II radio bursts, and polarized brightness measurements

2016 ◽  
Vol 121 (4) ◽  
pp. 2853-2865 ◽  
Author(s):  
Jae‐Ok Lee ◽  
Y.‐J. Moon ◽  
Jin‐Yi Lee ◽  
Kyoung‐Sun Lee ◽  
R.‐S. Kim
Keyword(s):  
Electron Density ◽  
Radio Bursts ◽  
Type Ii ◽  
Density Distributions ◽  
Type Ii Radio Bursts ◽  
Coronal Electron

The application of evolution strategies to disordered structures

1999 ◽  
Vol 32 (5) ◽  
pp. 902-910 ◽  
Author(s):  
Karsten Knorr ◽  
Fritz Mädler
Keyword(s):  
High Pressure ◽  
Maximum Entropy ◽  
Electron Density ◽  
Structural Model ◽  
Evolution Strategies ◽  
Qualitative Model ◽  
Density Distributions ◽  
Disordered Structures ◽  
Structure Factors ◽  
Complex Anions

Evolution strategies are applied to refine structural fragments, like molecules or complex anions, of orientationally disordered crystals. Optimal geometric embedding of the fragments into electron density distributions, resulting from maximum-entropy (ME) reconstructions, are performed. The evolution paradigm is found to be also applicable for the refinement against structure factors, for which the structural model is carefully selected from the ME densities. Suitably modified, the method is used successfully to compute reorientation pathways and to predict disordered high-pressure configurations in a non-classical qualitative model.

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