ChemInform Abstract: Ab Initio Calculation of the Molecular Structure and Electronic Properties of Carbo-di-imide, HN=C=NH.

1983 ◽  
Vol 14 (51) ◽  
Author(s):  
NGUYEN MINH-THO NGUYEN MINH-THO ◽  
T.-K. HA
Keyword(s):  
Molecular Structure ◽  
Ab Initio ◽  
Electronic Properties ◽  
Ab Initio Calculation

Structural, elastic and electronic properties of typical NdMgT 4 (T = Co, Ni, Cu) alloys from ab initio calculation

2018 ◽  
Vol 540 ◽  
pp. 38-42 ◽  
Author(s):  
Na Wang ◽  
Wei-bing Zhang ◽  
Bi-yu Tang ◽  
Hai-Tao Gao ◽  
En-jie He ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
Ab Initio Calculation ◽  
Cu Alloys

Ab initio calculation of high pressure phases and electronic properties of CuInSe2

2012 ◽  
Vol 152 (9) ◽  
pp. 775-778 ◽  
Author(s):  
Prayoonsak Pluengphon ◽  
Thiti Bovornratanaraks ◽  
Sornthep Vannarat ◽  
Kajornyod Yoodee ◽  
David Ruffolo ◽  
...  
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Electronic Properties ◽  
Ab Initio Calculation

Electronic properties of the SF6 molecule: Ab-initio calculation for the ground state

1971 ◽  
Vol 10 (3) ◽  
pp. 269-273 ◽  
Author(s):  
F.A. Gianturco ◽  
C. Guidotti ◽  
U. Lamanna ◽  
R. Moccia
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
Ground State ◽  
Ab Initio Calculation
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