Search Results - "Korchagina, Kseniia A"
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Molecular Dynamics Study of the Collision-Induced Reaction of H with CO on Small Water Clusters
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14-12-2017)“…The successive hydrogenation of CO is supposed to be the main mechanism leading to the formation of complex oxygenated species in the interstellar medium,…”
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Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17-11-2016)“…A global optimization search of low-energy isomers is carried out to investigate the structural and stability properties of sulfur-containing water clusters,…”
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Modeling of Manganese Atom and Dimer Isolated in Solid Rare Gases: Structure, Stability, and Effect on Spin Coupling
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30-03-2017)“…Structures and energies of the trapping sites of manganese atom and dimer in solid Ar, Kr, and Xe are investigated within the classical model, which balances…”
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