Keywords: Fullerene انتروجره; Porphyrin; Phthalocyanines; Fullerenes; Endohedral fullerene; Carbon nanotubes; Photoinduced electron transfer; Self-assembly; Excitation transfer; Axial coordination
مقالات ISI Fullerene انتروجره (ترجمه نشده)
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Spin resolved electronic transport through N@C20 fullerene molecule between Au electrodes: A first principles study
Keywords: Fullerene انتروجره; Endohedral fullerene; Molecular device; First principles; Spin dependent transport;
Redox-modulated switching of ferro to antiferromagnetic coupling in endohedral fullerenes: A broken-symmetry approach
Keywords: Fullerene انتروجره; Endohedral fullerene; Broken-symmetry; Switching; DFT;
Superconductivity-like phenomena in an ferrimagnetic endohedral fullerene with diluted magnetic surface
Keywords: Fullerene انتروجره; Carbon; Effective-field theory; Endohedral fullerene; Superconductivity;
How will the benzyne group -C6H4 affect the structure, electronic and optical properties of M3N@C80 (MÂ =Â Sc, Y)?
Keywords: Fullerene انتروجره; Endohedral fullerene; -C6H4; Sc3N@C80; Y3N@C80; Density functional theory;
Linear monometallic cyanide cluster fullerenes ScCN@C76 and YCN@C76: A theoretical prediction
Keywords: Fullerene انتروجره; Endohedral fullerene; MCN@C76; Stability; IR and 13C NMR spectra;
Comparative study of the D5h and Ih isomers of Sc3NC@C80 and Sc3N@C80
Keywords: Fullerene انتروجره; Endohedral fullerene; D5h Sc3NC@C80; Stability;
An endohedral fullerene-based nuclear spin quantum computer
Keywords: Fullerene انتروجره; Quantum computation; Endohedral fullerene; Nuclear spin;
Density functional investigation of metal encapsulated X@C12Si8 heterofullerene (X=Li+, Na+, K+, Be2+, Mg2+, Ca2+, Al3+, Ga3+)
Keywords: Fullerene انتروجره; SiC Fullerene; Endohedral fullerene; Ion encapsulation; DFT;
Influence of 3d transition metals (Fe, Co) on the structural, electrical and magnetic properties of C60 nano-cage
Keywords: Fullerene انتروجره; Transition metal; Endohedral fullerene; Exohedral fullerene; Heterofullerene
How will the dichlophenyl group affect the geometric structure, electronic properties, and static linear polarizability of La@C72?
Keywords: Fullerene انتروجره; Endohedral fullerene; La@C72(C6H3Cl2); La@C72; Density functional theory;
The structure, electronic property and infrared spectroscopy of the endohedral fullerene SnH4@C60
Keywords: Fullerene انتروجره; Endohedral fullerene; Electronic property; Stability; Infrared spectra; Density functional theory (DFT);
DFT study of structural, electronic, and spectroscopic properties of D6d endohedral fullerenes: X@C24H12 (XÂ =Â Li+, Na+, K+)
Keywords: Fullerene انتروجره; C24H12; Endohedral fullerene; Electronic structure; Infrared and Raman spectra; Stability; Density functional theory (DFT);
The properties of endohedral potassium ion fullerene cluster: MD simulation
Keywords: Fullerene انتروجره; Endohedral fullerene; K+@C60; Librational frequency; Liquid fullerene; Phase transition; MD simulation
Endohedral complex of fullerene C60 with tetrahedrane, C4H4@C60
Keywords: Fullerene انتروجره; Quantum chemistry; Endohedral fullerene; Tetrahedrane; Electronic spectrum
The electronic transport properties of N@C60@(n,m)N@C60@(n,m) carbon nanotube peapods
Keywords: Fullerene انتروجره; 61.46.Fg; 73.63.Fg; 85.35.KtSMEAGOL; Carbon nanotube peapods; Endohedral fullerene
Properties of He@C60 studied via structure distortions
Keywords: Fullerene انتروجره; Endohedral fullerene; Stability; DFT; Elastic properties; Electronic properties;
Encapsulation of radioactive isotopes into C60 fullerene cage by recoil implantation technique
Keywords: Fullerene انتروجره; 25.70.−z; 36.40.−c; 82.80.Ej; 82.80.JpHeavy ion induced nuclear reaction; Endohedral fullerene; γ-Spectroscopy; Radiochemical separation
Squeezing carbon dimers into the smallest fullerenes: DFT prediction of new carbon clusters containing double hypercoordinate carbons
Keywords: Fullerene انتروجره; Endohedral fullerene; Hypercoordinate carbon; Carbon sandwich; Eight electron rule; Aromaticity;
Impact formation of endohedral fullerenes at surfaces: Comparing field-free yield measurements with model calculations
Keywords: Fullerene انتروجره; Endohedral fullerene; Surface collision; Ion impact