Topological representations of crystal structures: generation, analysis and implementation in the TopCryst system
AP Shevchenko, AA Shabalin… - … and Technology of …, 2022 - Taylor & Francis
Main modern approaches to the topological representation of crystal structures of different
chemical classes are overviewed. The problem of automated generation and analysis of …
chemical classes are overviewed. The problem of automated generation and analysis of …
Metal-organic frameworks in Russia: From the synthesis and structure to functional properties and materials
MA Agafonov, EV Alexandrov, NA Artyukhova… - Journal of Structural …, 2022 - Springer
Current research fields of metal-organic frameworks (MOFs), which are being developed in
the last 5-10 years by Russian scientific institutions and universities, are generalized. The …
the last 5-10 years by Russian scientific institutions and universities, are generalized. The …
Stoichiometry and topological features of triple molybdates AxByCz (MoO4) n with the heteropolyhedral open MT-frameworks: Synthesis, crystal structure of Rb5 {Hf1 …
SM Aksenov, ET Pavlova, NN Popova, GD Tsyrenova… - Solid State …, 2024 - Elsevier
In the study of the Rb 2 MoO 4–CoMoO 4–Hf (MoO 4) 2 system a new compound, Rb 5 Hf
1.5 Сo 0.5 (MoO 4) 6, was obtained, which was synthesized by ceramic technology at 530° …
1.5 Сo 0.5 (MoO 4) 6, was obtained, which was synthesized by ceramic technology at 530° …
Topology versus porosity: what can reticular chemistry tell us about free space in metal–organic frameworks?
AP Shevchenko, EV Alexandrov, AA Golov… - Chemical …, 2020 - pubs.rsc.org
We present the results of a comprehensive geometrical and topological analysis of 3D
coordination networks in 33 790 coordination polymers. We have found relations between …
coordination networks in 33 790 coordination polymers. We have found relations between …
From clusters to crystals: Scale chemistry of intermetallics
VY Shevchenko, IV Medrish, GD Ilyushin, VA Blatov - Structural Chemistry, 2019 - Springer
We review different approaches to description, classification, and understanding of
intermetallic structures of any complexity. All these approaches are based on the …
intermetallic structures of any complexity. All these approaches are based on the …
High-throughput systematic topological generation of low-energy carbon allotropes
The search for new materials requires effective methods for scanning the space of atomic
configurations, in which the number is infinite. Here we present an extensive application of a …
configurations, in which the number is infinite. Here we present an extensive application of a …
Mechanical properties of porous materials based on new triply periodic and minimal surfaces
AV Eremin, MA Frolov, AF Krutov… - Mechanics of …, 2024 - Taylor & Francis
In this study, the mechanical properties of eight new porous structures were investigated.
These structures are based on triply periodic surfaces derived from zeolite frameworks …
These structures are based on triply periodic surfaces derived from zeolite frameworks …
Novel fluorinated MOFs with hydrophobic properties
D Princík, V Zeleňák, J Bednarčík, J Elečko, J Macko… - Polyhedron, 2024 - Elsevier
Novel fluorinated lanthanide-based metal–organic frameworks (Ln-F-MOFs) constructed
from the 3, 3′-difluorobiphenyl-4, 4′-dicarboxylic acid as a ligand (H 2 L) and M (III) metal …
from the 3, 3′-difluorobiphenyl-4, 4′-dicarboxylic acid as a ligand (H 2 L) and M (III) metal …
Topology of Intermetallic Crystals: Classification, Uniformity, and Transitions
OA Blatova, TD Slavnov, AD Afanasieva… - Inorganic …, 2024 - ACS Publications
We have analyzed the crystal structures of 7551 binary intermetallic compounds, which are
deposited in the inorganic crystal structure database, using a combined geometrical …
deposited in the inorganic crystal structure database, using a combined geometrical …
Local atomic configurations in intermetallic crystals: Beyond the first coordination shell
OA Blatova, VT Osipov, VE Pavlova… - Inorganic …, 2023 - ACS Publications
We have used a combined geometrical-topological approach to analyze 21,697 intermetallic
crystal structures stored in the Inorganic Crystal Structure Database. Following a geometrical …
crystal structures stored in the Inorganic Crystal Structure Database. Following a geometrical …