Nanotechnology, from quantum mechanical calculations up to drug delivery

B Szefler - International Journal of Nanomedicine, 2018 - Taylor & Francis
There are several reasons why nanotechnology is currently considered as the leader among
the most intensively developing research trends. Nanomatter often exhibits new properties …

Counting Polynomials in Chemistry: Past, Present, and Perspectives

DM Joița, MA Tomescu, L Jäntschi - Symmetry, 2023 - mdpi.com
Counting polynomials find their way into chemical graph theory through quantum chemistry
in two ways: as approximate solutions to the Schrödinger equation or by storing information …

[HTML][HTML] Valency-based topological descriptors of chemical networks and their applications

S Hayat, S Wang, JB Liu - Applied Mathematical Modelling, 2018 - Elsevier
A topological descriptor/index (or molecular structure descriptor) is a numerical value
associated with chemical constitution for correlation of chemical structure/network with …

[PDF][PDF] Omega polynomial in a combined coronene-sumanene covering

M Saheli, M Neamati, A Ilić, MV Diudea - Croatica Chemica Acta, 2010 - hrcak.srce.hr
Omega Polynomial in a Combined Coronene-Sumanene Covering Page 1 * Author to whom
correspondence should be addressed. (E-mail: aleksandari@gmail.com) CROATICA …

On diamond D5

MV Diudea, CL Nagy, A Bende - Structural Chemistry, 2012 - Springer
Diamond D 5 is a hyperdiamond structured as coalesced C 20 and C 28 small fullerenes, in
the ratio 2: 1, and having up to 90% pentagonal rings while the others being hexagonal …

On molecular dynamics of the diamond D5 seeds

B Szefler, MV Diudea - Structural Chemistry, 2012 - Springer
Diamond D 5 is a hyperdiamond with the rings being mostly pentagonal and built up on the
frame of mtn structure, appearing in clathrate hydrates of type II. As the seed of D 5, the …

All-pentagonal face multi tori

MV Diudea, A Ilic - Journal of Computational and Theoretical …, 2011 - ingentaconnect.com
Design of monomeric unit, by using sequences of map operations, and the growing process
in the building of a double-shell multi torus with all-pentagonal faces, is presented. It is …

Diamond D5, a Novel Class of Carbon Allotropes

MV Diudea, CL Nagy, A Ilić - Carbon bonding and structures: advances in …, 2011 - Springer
Abstract Design of hypothetical crystal networks, consisting of most pentagon rings and
generically called diamond D 5, is presented. It is shown that the seed and repeat-units, as …

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 …

Strain in Platonic fullerenes

B Szefler, MV Diudea - Structural Chemistry, 2014 - Springer
Platonic fullerenes are those structures, either closed or open ones, covered by a single type
of polygonal face. Excepting the graphite sheet, all the other nano-structures show non-zero …