[HTML][HTML] Current State of Computational Modeling of Nanohelicenes

VV Porsev, RA Evarestov - Nanomaterials, 2023 - mdpi.com
This review considers the works that focus on various aspects of the theoretical description
of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical …

[PDF][PDF] Subperiodic groups, line groups and their applications

G de la Flor, I Milošević - Journal of Applied Crystallography, 2024 - journals.iucr.org
Subperiodic groups, line groups and their applications Page 1 feature articles J. Appl. Cryst.
(2024). 57, 623–629 https://doi.org/10.1107/S1600576724003418 623 ISSN 1600-5767 …

Effect of the armchair and zigzag edge terminations on the properties of nanohelicenes: First-principles study

AV Domnin, VV Porsev, RA Evarestov - Computational Condensed Matter, 2023 - Elsevier
The work presents a comparison of the structural, mechanical, electronic and magnetic
properties of armchair and zigzag terminated nanohelicenes, using the first principles …

[HTML][HTML] Magnetic Properties of Zig-Zag-Edged Hexagonal Nanohelicenes: A Quantum Chemical Study

V Porsev, R Evarestov - Nanomaterials, 2023 - mdpi.com
The atomic structure and electronic and magnetic properties of two zig-zag-edged
hexagonal nanohelicenes of the second type [1.2] and [2.2] were studied by the density …

Line group approach for quantum chemical study of intrinsic helical twist of ultrathin tellurium nanorods

VV Porsev, AV Bandura, RA Evarestov - CrystEngComm, 2024 - pubs.rsc.org
The results of quantum chemical modeling of the structure and electronic properties of
tellurium nanorods using two different approaches to describing the symmetry of these …

[HTML][HTML] DFT Study of WS2-Based Nanotubes Electronic Properties under Torsion Deformations

AV Domnin, IE Mikhailov, RA Evarestov - Nanomaterials, 2023 - mdpi.com
In this study, the influence of torsional deformations on the properties of chiral WS2-based
nanotubes was investigated. All calculations presented in this study were performed using …

[HTML][HTML] Recursive Symmetries: Chemically Induced Combinatorics of Colorings of Hyperplanes of an 8-Cube for All Irreducible Representations

K Balasubramanian - Symmetry, 2023 - mdpi.com
We outline symmetry-based combinatorial and computational techniques to enumerate the
colorings of all the hyperplanes (q= 1–8) of the 8-dimensional hypercube (8-cube) and for all …

[PDF][PDF] Non-empirical study on the properties of quasi-one-dimensional carbon and WS2 nanostructures

RA Evarestov - disser.spbu.ru
Quasi-one-dimensional (Q1D) nanostructures represent a fascinating class of nanomaterials
that have captivated researchers from various scientific disciplines. With their unique …

[PDF][PDF] Неэмпирическое изучение свойств квази-одномерных углеродных и WS2 наноструктур

РА Эварестов - disser.spbu.ru
Квази-одномерные (Q1D) наноструктуры представляют собой перспективный класс
наноматериалов, который привлекает исследователей из различных научных …

The Transformative Role of Group Theory in Physics

M Qin - Highlights in Science, Engineering and Technology, 2024 - drpress.org
This article investigates the significant impact of Group Theory within the field of physics,
having a particular focus on its application in comprehending difficult physical systems and …