IE
Irena Efremenko
Research areas: Chemistry · Physical and Theoretical Chemistry · Crystallography and molecular interactions · Crystal structures of chemical compounds · Crystal Structures and Properties
0000-0002-9934-3470
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Publications (51)
- Potassium‐Ligand Cooperation Facilitated Chemical Bond Activation and Catalytic Hydrogenation Save
- Room temperature synthesis of α,β-unsaturated nitriles by manganese-catalysed base-free coupling of α-saturated nitriles with aldehydes Save
- Electron Density and Molecular Orbital Analyses of the Nature of Bonding in the η3-CCH Agostic Rhodium Complexes Preceding the C–C and C–H Bond Cleavages Save
- Calcium‐Ligand Cooperation Promoted Activation of N2O, Amine, and H2 as well as Catalytic Hydrogenation of Imines, Quinoline, and Alkenes Save
- C−H Bond Activation in Ru‐Catalyzed Reactions of Arenes with Olefins: Theoretical Insights into Hydroarylation and Oxidative Coupling Mechanisms Save
- Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls Save
- The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees Save
- Coupled Cluster Benchmark of New Density Functionals and of Domain Pair Natural Orbital Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II) Chloride Carbonyls Save
- Coupled cluster benchmark of new density functionals and of domain pair natural orbital methods: Mechanisms of hydroarylation and oxidative coupling catalyzed by Ru(II) chloride carbonyls Save
- Molecular dynamics simulations of the interaction of Mouse and Torpedo acetylcholinesterase with covalent inhibitors explain their differential reactivity: Implications for drug design Save
- Molecular dynamics simulations of the interaction of mouse and torpedo acetylcholinesterase with covalent inhibitors explain their differential reactivity: Implications for drug design Save
- The kinetics and mechanism of oxidation of reduced phosphovanadomolybdates by molecular oxygen: theory and experiment in concert Save
- Electron Transfer Oxidation of Benzene and Aerobic Oxidation to Phenol Save
- Quantum Chemical and Molecular Docking Studies of [(η6-Cp*Rh-Tyr1)-Leu-enkephalin]2+ to G-Protein-Coupled μ-, ∂-, and κ-Opioid Receptors and Comparisons to the Neuropeptide [Tyr1]-Leu-enkephalin: Conformations, Noncovalent Amino Acid Binding Sites, Bindi… Save
- Oxygenation of Methylarenes to Benzaldehyde Derivatives by a Polyoxometalate Mediated Electron Transfer–Oxygen Transfer Reaction in Aqueous Sulfuric Acid Save
- New Ruthenium Nitrosyl Pincer Complexes Bearing an O2 Ligand. Mono-Oxygen Transfer Save
- CO-Induced Methyl Migration in a Rhodium Thiophosphoryl Pincer Complex and Its Comparison with Phosphine-Based Complexes: The Divergent Effects of S and P Donor Ligands Save
- Benzyl Cation Stabilized by Metal Complexation. Relative Stability of Coordinated Methylene Arenium, π-Benzylic, and σ-Benzylic Structures Save
- Polyoxometalate-Catalyzed Insertion of Oxygen from O2 into Tin–Alkyl Bonds Save
- Accumulation of Explosives in Hair-Part 3: Binding Site Study* Save