The effect of the composition and pressure on the phase stability and electronic, magnetic, and elastic properties of M2AX (M=Mn, Fe; A=Al, Ga, Si, Ge; X=C, N) phases.

2021 ◽  
Author(s):  
Vyacheslav Zhandun ◽  
Natalia Zamkova ◽  
Oksana N. Draganyuk ◽  
Aleksey S. Shinkorenko ◽  
Ulf Wiedwald ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Elastic Properties ◽  
Phase Stability ◽  
Ground State ◽  
Electronic Ground State ◽  
Effect Of The Composition ◽  
Electronic Ground

The magnetic properties of M2AX (M=Mn, Fe; A=Al, Ga, Si, Ge; X=C, N) phases were studied within DFT-GGA. The magnetic electronic ground state is determined. The investigation of phase stability...

ChemInform Abstract: TRIPLET ELECTRONIC GROUND STATE OF TRIMETHYLENEMETHANE

1974 ◽  
Vol 5 (33) ◽  
pp. no-no
Author(s):  
DAVID R. YARKONY ◽  
HENRY F. III SCHAEFER
Keyword(s):  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground

Consistent characterization of the electronic ground state of Iron (II) Phthalocyanine from valence and core-shell electron spectroscopy

2021 ◽  
Author(s):  
Jonathan Laurent ◽  
John Bozek ◽  
Marc BRIANT ◽  
Pierre Carcabal ◽  
Denis Cubaynes ◽  
...  
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Electron Spectroscopy ◽  
Organometallic Compound ◽  
Electronic Ground State ◽  
Core Shell ◽  
Shell Electron ◽  
Phthalocyanine Molecule ◽  
Electronic Ground

We studied the Iron (II) Phthalocyanine molecule in the gas-phase. It is a complex transition organometallic compound, for which, the characterization of its electronic ground state is still debated more...

RKR Potentials of 14N16O and 16OH Molecules in the Electronic Ground State

2020 ◽  
Vol 128 (12) ◽  
pp. 1921-1926
Author(s):  
Yu. G. Borkov ◽  
O. N. Sulakshina ◽  
S. V. Kozlov ◽  
T. I. Velichko
Keyword(s):  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground
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