ChemInform Abstract: GEOMETRIC AND ELECTRONIC STRUCTURES OF CHLORINE- AND FLUORINE-SUBSTITUTED CARBONYL AND THIOCARBONYL COMPOUNDS. AN AB INITIO STUDY

1979 ◽  
Vol 10 (49) ◽  
Author(s):  
H. OBERHAMMER ◽  
J. E. BOGGS
Keyword(s):  
Ab Initio ◽  
Electronic Structures ◽  
Ab Initio Study

Crystal and electronic structures of superhard B2CN : An ab initio study

2012 ◽  
Vol 152 (2) ◽  
pp. 71-75 ◽  
Author(s):  
Quan Li ◽  
Dan Zhou ◽  
Hui Wang ◽  
Wanjin Chen ◽  
Baojia Wu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic Structures ◽  
Ab Initio Study

Effects of uniaxial strains on the magnetic properties and the electronic structures of Fe/graphene system: An ab initio study

2012 ◽  
Vol 111 (7) ◽  
pp. 07C306 ◽  
Author(s):  
Heechae Choi ◽  
Eung-Kwan Lee ◽  
Sung Beom Cho ◽  
Yong-Chae Chung
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Electronic Structures ◽  
Ab Initio Study

Lanthanide-doped LaSi 3 N 5 based phosphors: Ab initio study of electronic structures, band gaps, and energy level locations

2016 ◽  
Vol 172 ◽  
pp. 83-91 ◽  
Author(s):  
Ismail A.M. Ibrahim ◽  
Zoltán Lenčéš ◽  
Lubomir Benco ◽  
Pavol Šajgalík
Keyword(s):  
Energy Level ◽  
Ab Initio ◽  
Electronic Structures ◽  
Band Gaps ◽  
Ab Initio Study
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