c-C5H5 on a Ni(111) surface: Theoretical study of the adsorption, electronic structure and bonding

2008 ◽  
Vol 254 (18) ◽  
pp. 5831-5836 ◽  
Author(s):  
E. Germán ◽  
S. Simonetti ◽  
E. Pronsato ◽  
A. Juan ◽  
G. Brizuela
Keyword(s):  
Electronic Structure ◽  
Theoretical Study ◽  
Structure And Bonding

Solvent effects on the geometry, electronic structure, and bonding style of Zn(N 5 ) 2 : A theoretical study

2019 ◽  
Vol 67 (2) ◽  
pp. 235-241 ◽  
Author(s):  
Zhiyuan Ding ◽  
Pin Gao ◽  
Ming Lu ◽  
Guixiang Wang ◽  
Xuedong Gong
Keyword(s):  
Electronic Structure ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Structure And Bonding

A theoretical study of the electronic structure and bonding of the monoclinic phase of Mg2NiH4Mg2NiH4

2007 ◽  
Vol 32 (18) ◽  
pp. 4943-4948 ◽  
Author(s):  
P JASEN ◽  
E GONZALEZ ◽  
G BRIZUELA ◽  
O NAGEL ◽  
G GONZALEZ ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Monoclinic Phase ◽  
Theoretical Study ◽  
Structure And Bonding

scholarly journals Pyrazolium- and 1,2-Cyclopentadiene-Based Ligands as σ-Donors: a Theoretical Study of Electronic Structure and Bonding

2012 ◽  
Vol 51 (4) ◽  
pp. 2577-2587 ◽  
Author(s):  
Anssi Peuronen ◽  
Mikko M. Hänninen ◽  
Heikki M. Tuononen
Keyword(s):  
Electronic Structure ◽  
Theoretical Study ◽  
Structure And Bonding

The important role of the Mo–Mo quintuple bond in catalytic synthesis of benzene from alkynes. A theoretical study

2014 ◽  
Vol 43 (30) ◽  
pp. 11478-11492 ◽  
Author(s):  
Yue Chen ◽  
Shigeyoshi Sakaki
Keyword(s):  
Electronic Structure ◽  
Reaction Mechanism ◽  
Theoretical Study ◽  
Catalytic Synthesis ◽  
Structure And Bonding

The reaction mechanism of catalytic synthesis of benzene from alkynes by the Mo–Mo quintuple bond and the electronic structure and bonding nature of dimetallacyclobutadiene and dimetallabenzyne were studied theoretically.

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