scholarly journals Stability and structural properties of vacancy-ordered and -disordered ZrCx

RSC Advances ◽  
2021 ◽  
Vol 11 (52) ◽  
pp. 32573-32589
Author(s):  
Theresa Davey ◽  
Ken Suzuki ◽  
Hideo Miura ◽  
Ying Chen
Keyword(s):  
Structural Properties ◽  
Charge Distribution ◽  
Electronic Charge ◽  
Vacancy Ordering ◽  
Electronic Charge Distribution ◽  
Structure Geometry

The origin of vacancy ordering in ZrCx is explained considering structure geometry, electronic charge distribution, and atomic bonding features, and linked to stability and volume trends in the vacancy-ordered and -disordered zirconium carbides.

Stereochemistry of nucleic acids and polynucleotides III. Electronic charge distribution

Biopolymers ◽  
1971 ◽  
Vol 10 (7) ◽  
pp. 1159-1167 ◽  
Author(s):  
V. Renugopalakrishnan ◽  
A. V. Lakshminarayanan ◽  
V. Sasisekharan
Keyword(s):  
Nucleic Acids ◽  
Charge Distribution ◽  
Electronic Charge ◽  
Electronic Charge Distribution

scholarly journals X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological moleculesviaphysical phase measurements

2017 ◽  
Vol 50 (3) ◽  
pp. 689-700 ◽  
Author(s):  
Sérgio L. Morelhão ◽  
Cláudio M. R. Remédios ◽  
Guilherme A. Calligaris ◽  
Gareth Nisbet
Keyword(s):  
Molecular Dynamics ◽  
Data Analysis ◽  
Amino Acid ◽  
Radiation Damage ◽  
Charge Distribution ◽  
Intermolecular Forces ◽  
Electronic Charge ◽  
Phase Measurements ◽  
X Ray ◽  
Electronic Charge Distribution

In this work, experimental and data analysis procedures were developed and applied for studying amino acid crystals by means of X-ray phase measurements. The results clearly demonstrated the sensitivity of invariant triplet phases to electronic charge distribution in D-alanine crystals, providing useful information for molecular dynamics studies of intermolecular forces. The feasibility of using phase measurements to investigate radiation damage mechanisms is also discussed on experimental and theoretical grounds.

Spektroskopische Untersuchungen in der Festkörperchemie, VIII / NQR-Investigations on Rhenium(VII)Oxide Re2O7

1973 ◽  
Vol 28 (9-10) ◽  
pp. 570-572 ◽  
Author(s):  
Paul K. Burkert ◽  
Max F. Eckel
Keyword(s):  
Charge Distribution ◽  
Asymmetry Parameter ◽  
Coupling Constants ◽  
Electronic Charge ◽  
Central Metal ◽  
Electronic Charge Distribution ◽  
Strong Asymmetry ◽  
Oxygen Atoms

A strong asymmetry in the electronic charge distribution on the central metal of Re2O7 is caused by bridging oxygen atoms. This asymmetry is measured by determining the 185Re, 187Re-NQR transitions, NQR coupling constants and asymmetry parameter.

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