Theoretical investigation of structure and stability of oligomers of LiH, NaH, LiF, and NaF

1977 ◽  
Vol 46 (2) ◽  
pp. 117-127 ◽  
Author(s):  
Martin Rupp ◽  
Reinhart Ahlrichs
Keyword(s):  
Theoretical Investigation ◽  
Structure And Stability

scholarly journals Bonding, Structure, and Stability of Clusters: Some Surprising Results from an Experimental and Theoretical Investigation in Gas Phase

2013 ◽  
Vol 2013 ◽  
pp. 1-8 ◽  
Author(s):  
Melissa S. Caetano ◽  
Teodorico C. Ramalho ◽  
Tales G. Vieira ◽  
Arlan da Silva Gonçalves ◽  
Daiana T. Mancini ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Gas Phase ◽  
Charge Distribution ◽  
Theoretical Investigation ◽  
Ground State ◽  
Electrostatic Interactions ◽  
Water Molecules ◽  
Structure And Stability ◽  
Bonding Structure ◽  
Small Dipole

Structure and stability of clusters in the ground state were analyzed at the theoretical and experimental levels. Our experimental and theoretical findings showed that the clusters in gas phase tend to form mainly planar rings of four members. The symmetry and the small dipole moment in these specific configurations suggested that their stability could be associated with an alignment of the water molecules, maximizing attractive electrostatic interactions caused by changes in the charge distribution of the clusters.

Structure and stability of H4NO4+ ions: an ab initio theoretical investigation

1992 ◽  
Vol 96 (11) ◽  
pp. 4354-4358 ◽  
Author(s):  
Felice Grandinetti ◽  
Luigi Bencivenni ◽  
Fabio Ramondo
Keyword(s):  
Ab Initio ◽  
Theoretical Investigation ◽  
Structure And Stability
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