High-Pressure and Theoretical Studies Reveal Significant Differences in the Electronic Structure and Bonding of Magnesium, Zinc, and Nickel Ions in Metalloporphyrinoids

2014 ◽  
Vol 53 (16) ◽  
pp. 8473-8484 ◽  
Author(s):  
Agnieszka Kania ◽  
Mariusz Pilch ◽  
Dorota Rutkowska-Zbik ◽  
Anna Susz ◽  
Heriyanto ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
Theoretical Studies ◽  
Nickel Ions ◽  
Structure And Bonding

Electronic structure and bonding in clusters: Theoretical studies

1986 ◽  
Vol 3 (2-3) ◽  
pp. 159-166 ◽  
Author(s):  
K. Hermann ◽  
H. J. Hass ◽  
P. S. Bagus
Keyword(s):  
Electronic Structure ◽  
Theoretical Studies ◽  
Structure And Bonding

Electronic structure and bonding in antimony and its high pressure phases

2004 ◽  
Vol 219 (6) ◽  
Author(s):  
Alim Ormeci ◽  
Helge Rosner
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
First Principles ◽  
Electronic Structure Methods ◽  
Bonding Properties ◽  
Structure And Bonding

AbstractThe effects of pressure on the electronic structure and on the bonding properties of Sb are studied by first-principles electronic structure methods. A commensurate approximate structure is used in the calculations for the modulated incommensurate Sb-II phase. It is found that the overlap of

Theoretical Studies of High-Pressure Phases, Electronic Structure, and Vibrational Properties of NaNH2

2012 ◽  
Vol 116 (15) ◽  
pp. 8387-8393 ◽  
Author(s):  
Yan Zhong ◽  
Huai-Ying Zhou ◽  
Chao-Hao Hu ◽  
Dian-Hui Wang ◽  
Artem R. Oganov
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
Vibrational Properties ◽  
Theoretical Studies

Electronic structure and bonding of hydrogen in a screw dislocated bcc Fe

2001 ◽  
Vol 172 (1-2) ◽  
pp. 8-17 ◽  
Author(s):  
A. Juan ◽  
B. Irigoyen ◽  
S. Gesari
Keyword(s):  
Electronic Structure ◽  
Structure And Bonding

Electronic structure and bonding in titanium carbosulphide

2000 ◽  
Vol 80 (3) ◽  
pp. 379-394 ◽  
Author(s):  
Bala Ramalingam ◽  
Jan Vanek ◽  
J. M. Maclaren ◽  
M. E. Mchenry ◽  
W. M. Garrisonjr
Keyword(s):  
Electronic Structure ◽  
Structure And Bonding

Electronic Structure and Bonding Properties of the ZrO2/Ni Interface

2002 ◽  
Vol 224-226 ◽  
pp. 355-358 ◽  
Author(s):  
Xiaoping Han ◽  
Yao Zhang ◽  
Sheng Kai Gong ◽  
Hui Bin Xu
Keyword(s):  
Electronic Structure ◽  
Bonding Properties ◽  
Structure And Bonding

Electronic structure and optical properties of β-FeSi2(100)/Si(001) interface at high pressure

2012 ◽  
Vol 101 (11) ◽  
pp. 111909 ◽  
Author(s):  
L. Z. Liu ◽  
X. L. Wu ◽  
X. X. Liu ◽  
J. C. Shen ◽  
T. H. Li ◽  
...  
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
Electronic Structure
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