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Oleksandr Loboda

    Quantum-chemical studies on porphyrins, fullerenes and carbon nanostructures
    Quantum Modeling of Spin-Selective Processes of the Triplet State
    • Quantum Modeling of Spin-Selective Processes of the Triplet State

      Optical and Magnetic Properties of the Triplet State

      • 256pages
      • 9 heures de lecture

      Focusing on spin-selective processes in triplet excited states, this book explores the unique characteristics of the lower-energy triplet state and its three spin sublevels. It delves into zero-field splitting, the impact of spin-spin interactions, and the detection of microwave transitions through phosphorescence intensity changes, laying the groundwork for ODMR techniques. Additionally, it employs the quadratic response technique to estimate electric dipole activity in phosphorescent transitions and includes a thorough review of quantum chemistry theory alongside practical applications.

      Quantum Modeling of Spin-Selective Processes of the Triplet State
    • This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds such as porphyrins, fullerenes and heteroatomic single-wall nanotubes. The book presents new, faster calculation methods for application in quantum-chemical theory of electronic structures. It addresses issues of practical importance such as the development of materials for photosensitizers, organic LEDs and solar cells.

      Quantum-chemical studies on porphyrins, fullerenes and carbon nanostructures