Magnetic interactions in molecules and an analysis of molecular electronic charge distribution from magnetic parameters

1974 ◽  
Vol 74 (6) ◽  
pp. 653-687 ◽  
Author(s):  
W. H. Flygare
Keyword(s):  
Charge Distribution ◽  
Magnetic Interactions ◽  
Electronic Charge ◽  
Molecular Electronic ◽  
Magnetic Parameters ◽  
Electronic Charge Distribution

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.

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