Figures of graph partitioning by counting, sequence and layer matrices

MA Tomescu, L Jäntschi, DI Rotaru - Mathematics, 2021 - mdpi.com
A series of counting, sequence and layer matrices are considered precursors of classifiers
capable of providing the partitions of the vertices of graphs. Classifiers are given to provide …

Sc3N and Sc2C2 encapsulated B40: Smarter than its carbon analogue

EV Shah, DR Roy - Physica E: Low-dimensional Systems and …, 2016 - Elsevier
A detailed comparative investigation on the recently synthesised B 40 and C 40 along with
their metal nitride (Sc 3 N) and carbide (Sc 2 C 2) encapsulated endohedral fullerenes, is …

Open-shell nature of non-IPR fullerene С40: isomers 29 (C2) and 40 (Td)

AR Khamatgalimov, RI Idrisov, II Kamaletdinov… - Journal of Molecular …, 2021 - Springer
It is well-known that the small non-IPR fullerenes C n (n< 60) are highly unstable and that is
why they cannot be obtained as empty cages. However, they become stable as exohedral or …

[HTML][HTML] Transport in a fullerene terminated aromatic molecular device

RP Kaur, D Engles - Journal of Science: Advanced Materials and Devices, 2018 - Elsevier
In this work, we propose fullerene molecule C 20 as an anchor to fabricate a robust aromatic
molecular junction. The electron transport properties of this fullerene terminated aromatic …

[PDF][PDF] Energy of graphs and remote graphs, in hypercubes, rhombellanes and fullerenes

MV Diudea, A Pirvan-Moldovan, R Pop… - … Math. Comput. Chem, 2018 - match.pmf.kg.ac.rs
Energy of a graph is defined as the sum of absolute values of the eigenvalues of its
adjacency matrix. Remote graphs are the graphs drawn on the remote adjacency matrices …

Corannulene and corazulene tiling of nanostructures

MV Diudea - Physical Chemistry Chemical Physics, 2005 - pubs.rsc.org
Tiling modification in nanostructure modeling can be achieved by map operations, as well
as the well-known Stone–Wales bond rotation. In this respect, sequences of classical …

Identification of Four C40 Isomers by Means of a Theoretical XPS/NEXAFS Spectra Study

Y Ma, SY Wang, J Hu, JR Zhang, J Lin… - The Journal of …, 2018 - ACS Publications
XPS and NEXAFS spectra of four stable C40 isomers [29 (C 2), 31 (C s), 38 (D 2), and 39 (D
5 d)] have been investigated theoretically. We combined density functional theory and the …

[PDF][PDF] Szeged matrix property indices as descriptors to characterize fullerenes

L Jäntschi, SD Bolboacă - Ovidius University Annals of Chemistry, 2016 - sciendo.com
Fullerenes are class of allotropes of carbon organized as closed cages or tubes of carbon
atoms. The fullerenes with small number of atoms were not frequently investigated. This …

Cluj and omega polynomials in PAHs and fullerenes

MV Diudea, B Szefler - Current Organic Chemistry, 2015 - ingentaconnect.com
A graph property P (G), written as a sequence of numbers counting its local partitions, can
be expressed as a counting polynomial P (G, x) with the exponents of the indeterminate x …

Electrical characterization of quasi fullerene junctions formed with different metallic electrodes

RP Kaur, RS Sawhney, D Engles - Journal of Materials Research, 2016 - cambridge.org
We calculate, compare, and discuss the charge transport properties through quasi fullerene
C40 obtained in three different electrode–C40–electrode testbeds by employing density …