Quantum-chemical calculations of electronic structures and molecular properties within the framework of approximate schemes of zero differential overlap

1977 ◽  
Vol 18 (2) ◽  
pp. 272-297
Author(s):  
N. M. Klimenko ◽  
A. S. Zyubin ◽  
O. P. Charkin
Keyword(s):  
Quantum Chemical Calculations ◽  
Electronic Structures ◽  
Quantum Chemical ◽  
Molecular Properties ◽  
Zero Differential

Quantum chemical calculations of molecular properties of V2O5 clusters

1991 ◽  
Vol 66 (2) ◽  
pp. 205-214 ◽  
Author(s):  
M. Witko ◽  
R. Tokarz ◽  
J. Haber
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Molecular Properties

Electronic structures of heterometallic complexes [Ru(NO)(NO2)4(OH)ZnL n ] according to the data of quantum-chemical calculations and photoelectron spectroscopy

2012 ◽  
Vol 38 (8) ◽  
pp. 535-544 ◽  
Author(s):  
G. A. Kostin ◽  
A. O. Borodin ◽  
N. A. Kryuchkova ◽  
N. V. Kurat’eva ◽  
A. I. Boronin ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Quantum Chemical ◽  
Heterometallic Complexes

Quantum-chemical calculations of the electronic structures of polymethylidyne dyes

1978 ◽  
Vol 14 (5) ◽  
pp. 511-517
Author(s):  
P. I. Abramenko ◽  
V. A. Kosobutskii
Keyword(s):  
Quantum Chemical Calculations ◽  
Electronic Structures ◽  
Quantum Chemical

Tight-Binding Quantum Chemical Calculations of Electronic Structures of Indium Tin Oxide

2005 ◽  
Vol 44 (4B) ◽  
pp. 2806-2809 ◽  
Author(s):  
Chen Lv ◽  
Xiaojing Wang ◽  
Agalya Govindasamy ◽  
Hideyuki Tsuboi ◽  
Michihisa Koyama ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Tin Oxide ◽  
Indium Tin Oxide ◽  
Electronic Structures ◽  
Quantum Chemical ◽  
Tight Binding
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