Oleg A. Ivashkevich

Bio: Oleg A. Ivashkevich is an academic researcher from Belarusian State University. The author has contributed to research in topics: Tetrazole & Crystal structure. The author has an hindex of 25, co-authored 159 publications receiving 2229 citations. Previous affiliations of Oleg A. Ivashkevich include University of Rennes.

Metal derivatives of tetrazoles

Abstract: Published data on the synthesis, structure, properties and applications of metal derivatives of tetrazoles are generalised and described systematically. Compounds based on the anionic and neutral tetrazole forms, C- and N-mono- and C,N-disubstituted tetrazoles are considered.

DFT study of electronic structure and geometry of neutral and anionic silver clusters

Abstract: A comparative analysis of bond lengths (re), vertical detachment energies (VDE), excitation energies of neutral clusters with geometry of anions (Te) and vertical ionization potentials of neutral clusters (IPv) calculated within density functional theory (DFT) using different functionals with both effective core potential (ECP) and all-electron basis sets for silver clusters Agn, n≤6, have been carried out. DFT methods provide a good agreement between calculated and experimental data of some characteristics. The accurate prediction of all characteristics simultaneously can be achieved with all-electron DZVP basis set only. A new functional has been developed. It provides results close to experimental data using the moderate basis set. For anionic clusters Ag2–10−, the difference between calculations with this functional and experimental values of VDE and Te for the most stable isomers does not exceed 0.1 eV. Based on both total energy calculations and comparison of experimental and calculated photoelectron spectra, the structural assignment of clusters Ag7−, Ag9− and Ag10− has been made. The electronic structure and geometrical characteristics of the low-lying isomers has been studied.

Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects

Abstract: The structural properties of free nanoclusters are reviewed. Special attention is paid to the interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster structures that are actually observed in experiments. The review starts with a brief summary of the experimental methods for the production of free nanoclusters and then considers theoretical and simulation issues, always discussed in close connection with the experimental results. The energetic properties are treated first, along with methods for modeling elementary constituent interactions and for global optimization on the cluster potential-energy surface. After that, a section on cluster thermodynamics follows. The discussion includes the analysis of solid-solid structural transitions and of melting, with its size dependence. The last section is devoted to the growth kinetics of free nanoclusters and treats the growth of isolated clusters and their coalescence. Several specific systems are analyzed.

3d Transition Metals for C-H Activation.

Abstract: C–H activation has surfaced as an increasingly powerful tool for molecular sciences, with notable applications to material sciences, crop protection, drug discovery, and pharmaceutical industries, among others. Despite major advances, the vast majority of these C–H functionalizations required precious 4d or 5d transition metal catalysts. Given the cost-effective and sustainable nature of earth-abundant first row transition metals, the development of less toxic, inexpensive 3d metal catalysts for C–H activation has gained considerable recent momentum as a significantly more environmentally-benign and economically-attractive alternative. Herein, we provide a comprehensive overview on first row transition metal catalysts for C–H activation until summer 2018.

Functionalizing nanoparticles with biological molecules: developing chemistries that facilitate nanotechnology.

Abstract: Chemistries that Facilitate Nanotechnology Kim E. Sapsford,† W. Russ Algar, Lorenzo Berti, Kelly Boeneman Gemmill,‡ Brendan J. Casey,† Eunkeu Oh, Michael H. Stewart, and Igor L. Medintz*,‡ †Division of Biology, Department of Chemistry and Materials Science, Office of Science and Engineering Laboratories, U.S. Food and Drug Administration, Silver Spring, Maryland 20993, United States ‡Center for Bio/Molecular Science and Engineering Code 6900 and Division of Optical Sciences Code 5611, U.S. Naval Research Laboratory, Washington, D.C. 20375, United States College of Science, George Mason University, 4400 University Drive, Fairfax, Virginia 22030, United States Department of Biochemistry and Molecular Medicine, University of California, Davis, School of Medicine, Sacramento, California 95817, United States Sotera Defense Solutions, Crofton, Maryland 21114, United States