A5034613805- X-ray Diffraction in Crystallography
- Metal-Organic Frameworks: Synthesis and Applications
- Crystallization and Solubility Studies
- Magnetism in coordination complexes
- Metal complexes synthesis and properties
- Advanced NMR Techniques and Applications
- Computational Drug Discovery Methods
- Crystallography and molecular interactions
- Lanthanide and Transition Metal Complexes
- Coal and Coke Industries Research
- Mining and Gasification Technologies
- Adsorption, diffusion, and thermodynamic properties of materials
Samara State Technical University
2019
Samara National Research University
2016-2017
Metal–organic frameworks (MOFs) need a high mechanical stability to be robust for industrial applications, like gas storage and catalysis. Their adsorption properties also correlate with the structure flexibility, which leads so-called breathing phenomenon. Finding relations between geometrical topological descriptors is important explaining predicting behavior of both synthesized hypothetical MOFs. To address this, we present full tensor DFT analysis second-order elastic constants 22 either...
Abstract Under hydrothermal conditions, three new Ag I coordination polymers, [Ag(L1)(Hmip)] n ( 1 ), [Ag(L2) 0.5 (ndc) ] 2 and {[Ag(L3) (Htbi)] · 0.25H O} 3 ) [H mip = 5‐methylisophthalic acid, L1 1,4‐bis(2‐methylbenzimidazol‐1‐ylmethyl)benzene, H ndc 2,6‐naphthalenedicarboxylic L2 1,3‐bis(2‐methylbenzimidazol‐1‐ylmethyl)benzene, tbi 5‐ tert ‐butyl isophthalic L3 1,4‐bis(5,6‐dimethylbenzimidazole)butane] were synthesized by employing flexible bis(benzimidazole) dicarboxylic acid ligands....
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTTwo Exceptional Patterns of Helical Secondary Building Units Found in Metal–Organic Framework StructuresEugeny V. Alexandrov‡, Andrey Goltsev‡, Michael O'Keeffe*†, and Davide M. Proserpio*‡§View Author Information† School Molecular Sciences, Arizona State University, Tempe, 85287, United States‡ Samara Center for Theoretical Materials Science (SCTMS), Ac. Pavlov Street 1, 443011, Russia§ Dipartimento di Chimica, Università degli Studi Milano,...
The results of a study the physicochemical parameters influence on evolution hydrogen from multicomponent mixture are presented. It is shown that search for alternative energy sources currently one urgent tasks in various fields science, industry and ecology. most promising under current conditions transition to use fuel. At same time, used both as caloric additive hydrocarbon fuel reduce toxicity combustion products, independent relevance problem associated with possibility obtaining...