ChemInform Abstract: THE ELECTRONIC STRUCTURE OF PYRAZINE, A VALENCE BOND MODEL FOR LONE PAIR INTERACTIONS

1975 ◽  
Vol 6 (26) ◽  
Author(s):  
WILLARD R. WADT ◽  
WILLIAM A. III GODDARD
Keyword(s):  
Electronic Structure ◽  
Valence Bond ◽  
Lone Pair ◽  
Bond Model ◽  
Lone Pair Interactions ◽  
Pair Interactions

Band gap engineering of bulk and nanosheet SnO: an insight into the interlayer Sn–Sn lone pair interactions

2015 ◽  
Vol 17 (27) ◽  
pp. 17816-17820 ◽  
Author(s):  
Wei Zhou ◽  
Naoto Umezawa
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Band Gap ◽  
Density Functional ◽  
Lone Pair ◽  
Functional Theory ◽  
Band Gap Engineering ◽  
Lone Pair Interactions ◽  
Insight Into ◽  
Pair Interactions

The effects of interlayer lone-pair interactions on the electronic structure of SnO are explored using density-functional theory.

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