Electron solvation in water-ammonia mixed clusters: Structure, energetics, and the nature of localization states of the excess electron

2007 ◽  
Vol 126 (23) ◽  
pp. 234510 ◽  
Author(s):  
Subha Pratihar ◽  
Amalendu Chandra
Keyword(s):  
Excess Electron ◽  
Electron Solvation ◽  
Mixed Clusters

scholarly journals Excess electron solvation in ammonia clusters

2019 ◽  
Vol 151 (20) ◽  
pp. 204304 ◽  
Author(s):  
Bence Baranyi ◽  
László Turi
Keyword(s):  
Excess Electron ◽  
Electron Solvation ◽  
Ammonia Clusters

scholarly journals An Excess Electron Bound to Magnesium Halides and Basic Grignard Compounds (RMgX and RMgR, R = Me, Et, Ph; X = F, Cl, Br)

2021 ◽  
Vol 125 (11) ◽  
pp. 2334-2343
Author(s):  
Jakub Brzeski ◽  
Sylwia Freza ◽  
Marcin Czapla ◽  
Piotr Skurski
Keyword(s):  
Excess Electron

scholarly journals Excess electron relaxation dynamics at water/air interfaces

2007 ◽  
Vol 126 (23) ◽  
pp. 234707 ◽  
Author(s):  
Ádám Madarász ◽  
Peter J. Rossky ◽  
László Turi
Keyword(s):  
Excess Electron ◽  
Relaxation Dynamics ◽  
Electron Relaxation ◽  
Air Interfaces

scholarly journals $$\hbox {Ag}_{m} \hbox {Rh}_n$$ clusters with $$m+n\le 55$$

2021 ◽  
Vol 140 (4) ◽  
Author(s):  
Nicolas Louis ◽  
Stephan Kohaut ◽  
Michael Springborg
Keyword(s):  
Genetic Algorithms ◽  
Structure Optimization ◽  
Structural Similarity ◽  
Similarity Function ◽  
Many Body ◽  
Coordination Numbers ◽  
Energetic Properties ◽  
Ag Clusters ◽  
Body Potential ◽  
Mixed Clusters

AbstractUsing a combination of genetic algorithms for the unbiased structure optimization and a Gupta many-body potential for the calculation of the energetic properties of a given structure, we determine the putative total-energy minima for all $$\hbox {Ag}_{m} \hbox {Rh}_n$$ Ag m Rh n clusters with a total number of atoms $$m+n$$ m + n up to 55. Subsequently, we use various descriptors to analyze the obtained structural and energetic properties. With the help of a similarity function, we show that the pure Ag and Rh clusters are structurally similar for sizes up to around 20 atoms. The same approach gives that the mixed clusters tend to possess a larger structural similarity with the pure Rh clusters than with the pure Ag clusters. However, for clusters with $$m\simeq n\ge 25$$ m ≃ n ≥ 25 , other structures dominate. The effective coordination numbers for the Ag and Rh atoms as well as the radial distributions of those atoms indicate that there is a tendency towards segregation with Rh atoms forming an inner part and the Ag atoms forming a shell. Only few clusters, all with a fairly large total number of atoms, are found to be particularly stable.

Dicalcium nitride, Ca2N—a 2D "excess electron" compound; synthetic routes and crystal chemistry

2000 ◽  
Vol 10 (7) ◽  
pp. 1635-1641 ◽  
Author(s):  
Duncan H. Gregory ◽  
Amy Bowman ◽  
Charles F. Baker ◽  
David P. Weston
Keyword(s):  
Crystal Chemistry ◽  
Excess Electron ◽  
Synthetic Routes ◽  
Electron Compound

Effect of density on excess electron localization in ethane and propane

1977 ◽  
Vol 66 (1) ◽  
pp. 366-367 ◽  
Author(s):  
Toyoaki Kimura ◽  
Kenji Fueki
Keyword(s):  
Excess Electron ◽  
Electron Localization
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