Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review

2017 ◽  
pp. 159-167
Author(s):  
A. V. Glushkov ◽  
A. A. Svinarenko ◽  
O. Yu. Khetselius ◽  
Yu. V. Dubrovskaya ◽  
A. S. Kvasikova ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Chemical Modelling ◽  
Catalytic Processes

Biosynthesis of Nitric Oxide—Quantum Chemical Modelling of Nω-Hydroxy-l-arginine Formation

1997 ◽  
Vol 3 (4) ◽  
pp. 609-613 ◽  
Author(s):  
Ewa Wasielewska ◽  
Malgorzata Witko ◽  
Grażyna Stochel ◽  
Zofia Stasicka
Keyword(s):  
Nitric Oxide ◽  
Quantum Chemical ◽  
Chemical Modelling

scholarly journals A new chemical compound with an unusual ratio of number of carbon and nitrogen atoms – C(N12): quantum-chemical modelling

RSC Advances ◽  
2021 ◽  
Vol 11 (57) ◽  
pp. 35974-35981
Author(s):  
Denis V. Chachkov ◽  
Oleg V. Mikhailov
Keyword(s):  
Chemical Compound ◽  
Quantum Chemical ◽  
Nitrogen Compounds ◽  
Carbon And Nitrogen ◽  
Chemical Modelling ◽  
Carbon Nitrogen Ratio ◽  
Nitrogen Ratio

The possibility of the existence of tetracyclic carbon–nitrogen compounds having the unusual carbon : nitrogen ratio 1 : 12, which is unknown for these elements at the present, was shown.

Quantum chemical modelling of perovskite solid solutions

2000 ◽  
Vol 12 (26) ◽  
pp. L431-L434 ◽  
Author(s):  
R I Eglitis ◽  
E A Kotomin ◽  
G Borstel
Keyword(s):  
Solid Solutions ◽  
Quantum Chemical ◽  
Chemical Modelling

Quantum-chemical modelling of the structural change of water due to its interaction with nanographene

2009 ◽  
Vol 47 (6) ◽  
pp. 599-606 ◽  
Author(s):  
G. Forte ◽  
A. Grassi ◽  
G.M. Lombardo ◽  
G.G.N. Angilella ◽  
N.H. March ◽  
...  
Keyword(s):  
Structural Change ◽  
Quantum Chemical ◽  
Chemical Modelling

Quantum-Chemical Modelling of the Migration of Inhibitors of Tyre Rubbers

2008 ◽  
Vol 35 (3) ◽  
pp. 37-40
Author(s):  
E. A. Mukhutdinov ◽  
L. Kh. Karimova ◽  
A. A. Mukhutdinov
Keyword(s):  
Quantum Chemical ◽  
Chemical Modelling

Quantum chemical modelling of the heterogeneous electron transfer: from qualitative analysis to a polarization curve

2000 ◽  
Vol 45 (21) ◽  
pp. 3521-3536 ◽  
Author(s):  
Renat R. Nazmutdinov ◽  
Galina A. Tsirlina ◽  
Oleg A. Petrii ◽  
Yurij I. Kharkats ◽  
Alexander M. Kuznetsov
Keyword(s):  
Electron Transfer ◽  
Qualitative Analysis ◽  
Polarization Curve ◽  
Quantum Chemical ◽  
Heterogeneous Electron Transfer ◽  
Chemical Modelling

Quantum chemical modelling of ‘green’ luminescence in self activated perovskite-type oxides

2003 ◽  
Vol 126 (5) ◽  
pp. 301-304 ◽  
Author(s):  
R.I. Eglitis ◽  
V.A. Trepakov ◽  
S.E. Kapphan ◽  
G. Borstel
Keyword(s):  
Quantum Chemical ◽  
Green Luminescence ◽  
Chemical Modelling ◽  
Perovskite Type

Quantum chemical modelling of electron polarons and excitons in ABO3perovskites

2000 ◽  
Vol 12 (35) ◽  
pp. L557-L562 ◽  
Author(s):  
E A Kotomin ◽  
R I Eglitis ◽  
G Borstel
Keyword(s):  
Quantum Chemical ◽  
Chemical Modelling
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