Research output

  1. Unusual Effects of the Metal Center Coordination Mode on the Photophysical Behavior of the Rhenium(I) and Rhenium(I)–Iridium(III) Complexes

    Research output: Contribution to journal › Article › peer-review

  2. Density functional and force field modeling of multi-walled WS2 nanotubes

    Research output: Contribution to journal › Article › peer-review

  3. Derivation of a Force Field for Computer Simulations of Multi-Walled Nanotubes Using Genetic Algorithm. I. Tungsten Disulfide

    Research output: Contribution to journal › Article › peer-review

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Projects

  1. Квантовохимическое, молекулярно-механическое и молекулярно-динамическое исследование однопериодических наноструктур

    Project: Grant fulfilment › Total grant fulfilment

  2. Квантовохимическое исследование ультратонких наностержней теллура, селена и серы с учетом спиральной периодичности: 2024 г. - этап 1

    Project: Grant fulfilment › Grant stage fulfilment

  3. Участие в конференции им. В.А. Фока по теоретической, квантовой и вычислительной химии

    Project: Grant fulfilment › Total grant fulfilment

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Activities

  1. Ab initio modeling of electronic and mechanical properties of polytwistane

    Activity: Talk types › poster

  2. Development and validation of interatomic potentials for layered compounds

    Activity: Talk types › poster

  3. Quantum chemical study of TTET rate in Ir-RB dyad

    Activity: Talk types › poster

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ID: 219786