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Tuning the electronic and structural properties of (6,0) silicon carbide nanotube containing ionic Si—C bond by axial strain: A quantum chemical approach
Журнал структурной химии
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10.26902/jsc_id51622
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2020
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Vol 61
(1)
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Keyword(s):
Silicon Carbide
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Structural Properties
◽
Quantum Chemical
◽
Axial Strain
◽
Chemical Approach
◽
Silicon Carbide Nanotube
◽
Quantum Chemical Approach
◽
Electronic And Structural Properties
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References
Axial Strain Tuning of the Electronic and Structural Properties of a (6,0) Silicon Carbide Nanotube Containing an Ionic Si-C Bond: A Quantum Chemical Approach
Journal of Structural Chemistry
◽
10.1134/s0022476620010023
◽
2020
◽
Vol 61
(1)
◽
pp. 8-19
Author(s):
H. Roohi
◽
S. Shirbina
◽
L. Maleki
Keyword(s):
Silicon Carbide
◽
Structural Properties
◽
Quantum Chemical
◽
Axial Strain
◽
Chemical Approach
◽
Silicon Carbide Nanotube
◽
Quantum Chemical Approach
◽
Electronic And Structural Properties
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Effect of Gallium Doping on Electronic and Structural Properties (6,0) Zigzag Silicon Carbide Nanotube as a p-Semiconductor
Journal of Cluster Science
◽
10.1007/s10876-012-0507-6
◽
2012
◽
Vol 23
(4)
◽
pp. 1119-1132
◽
Cited By ~ 15
Author(s):
Mohammad T. Baei
◽
Ali Ahmadi Peyghan
◽
Masoumeh Moghimi
◽
Saeedeh Hashemian
Keyword(s):
Silicon Carbide
◽
Structural Properties
◽
Silicon Carbide Nanotube
◽
Gallium Doping
◽
Electronic And Structural Properties
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QUANTUM CHEMICAL APPROACH ON THE MOLECULAR STRUCTURAL PROPERTIES OF SOME AMINOPYRIDINES
International Journal of Research in Engineering and Technology
◽
10.15623/ijret.2016.0503069
◽
2016
◽
Vol 05
(03)
◽
pp. 379-389
Author(s):
P.Azantha Parimala .
Keyword(s):
Structural Properties
◽
Quantum Chemical
◽
Chemical Approach
◽
Quantum Chemical Approach
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Molecular structure, NBO analysis of the hydrogen-bonded interactions, Spectroscopic (FT–IR, FT–Raman), drug likeness and molecular docking of the novel anti COVID-2 molecule (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]-hydrazinecarbothioamide (Dimer) - Quantum chemical approach
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
◽
10.1016/j.saa.2020.119388
◽
2020
◽
pp. 119388
Author(s):
S.J. Jenepha Mary
◽
Sayantan Pradhan
◽
C. James
Keyword(s):
Molecular Structure
◽
Molecular Docking
◽
Quantum Chemical
◽
Nbo Analysis
◽
The Novel
◽
Chemical Approach
◽
Ft Ir
◽
Quantum Chemical Approach
◽
Ft Raman
◽
Hydrogen Bonded
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Inhibitory action of Macaranga peltata leaves extract on the corrosion of mild steel in 0.5 M sulphuric Acid- Quantum chemical approach
Materials Today Proceedings
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10.1016/j.matpr.2021.03.446
◽
2021
◽
Author(s):
K.K. Athul
◽
P. Thilagavathy
◽
D. Nalini
Keyword(s):
Mild Steel
◽
Sulphuric Acid
◽
Quantum Chemical
◽
Inhibitory Action
◽
Chemical Approach
◽
Quantum Chemical Approach
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Using a quantum-chemical approach for the investigation of corrosion on surfaces of metals and alloys
Materials Science
◽
10.1007/s11003-011-9379-4
◽
2011
◽
Vol 47
(2)
◽
pp. 137-149
Author(s):
V. I. Pokhmurs’kyi
◽
S. A. Kornii
◽
V. I. Kopylets’
Keyword(s):
Quantum Chemical
◽
Metals And Alloys
◽
Chemical Approach
◽
Quantum Chemical Approach
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Quantum Chemical Approach to Structure‐Activity Relationships of Tetracycline Antibiotics
Journal of Pharmaceutical Sciences
◽
10.1002/jps.2600600413
◽
1971
◽
Vol 60
(4)
◽
pp. 576-582
◽
Cited By ~ 34
Author(s):
Federico Peradejordi
◽
Alfred N. Martin
◽
Arthur Cammarata
Keyword(s):
Quantum Chemical
◽
Tetracycline Antibiotics
◽
Structure Activity Relationships
◽
Structure Activity
◽
Chemical Approach
◽
Quantum Chemical Approach
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A quantum chemical approach to the free energy calculations in condensed systems: The QM/MM method combined with the theory of energy representation
The Journal of Chemical Physics
◽
10.1063/1.1774981
◽
2004
◽
Vol 121
(9)
◽
pp. 3989-3999
◽
Cited By ~ 67
Author(s):
Hideaki Takahashi
◽
Nobuyuki Matubayasi
◽
Masaru Nakahara
◽
Tomoshige Nitta
Keyword(s):
Free Energy
◽
Quantum Chemical
◽
Free Energy Calculations
◽
Energy Calculations
◽
Chemical Approach
◽
Quantum Chemical Approach
◽
Condensed Systems
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Quantum Chemical Approach to Metal-polymer Interfaces
Journal of the Japan Society of Colour Material
◽
10.4011/shikizai1937.67.641
◽
1994
◽
Vol 67
(10)
◽
pp. 641-652
Author(s):
Shigeyoshi MAEDA
Keyword(s):
Quantum Chemical
◽
Polymer Interfaces
◽
Chemical Approach
◽
Quantum Chemical Approach
◽
Metal Polymer
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β-cyclodextrin-lenalidomide anticancer drug delivery nanosystem: A quantum chemical approach
Journal of Molecular Liquids
◽
10.1016/j.molliq.2021.117762
◽
2021
◽
pp. 117762
Author(s):
Hossein Harati
◽
Ali Morsali
◽
Mohammad Reza Bozorgmehr
◽
S. Ali Beyramabadi
Keyword(s):
Drug Delivery
◽
Anticancer Drug
◽
Quantum Chemical
◽
Anticancer Drug Delivery
◽
Chemical Approach
◽
Quantum Chemical Approach
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