Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 3 of 3 for “"Spin-Forbidden Reactions"”.
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Quantum Mechanical Study of Spin-Forbidden Reactions in Organometallic Catalysis and Astrochemistry
… presents a quantum mechanical investigation of spin-forbidden reactions in organometallic C-H bond activation and interstellar peptide-bond formation, as well as the derivation of the Morse empirical potential from an electrostatic model. In the first part, the role of triplet electronic state …
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Predicting Kinetics of Spin-Dependent Reactions in an External Magnetic Field with Nonadiabatic Statistical Theory
… broad theoretical exploration of the kinetics of spin-dependent reactions under the influence of an external magnetic field. We tackle the complexities of computational modeling of reactions characterized by non-radiative transitions between electronic states with different spin multiplicities in …
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Quantum Nuclear Dynamics: Application to Spin-Forbidden Transitions and Lifetime of Vibrational States
… method to study nonadiabatic dynamics of spin-forbidden reactions in which nonradiative transitions between the electronic states of different spin multiplicities occur due to the relativistic effect of spin-orbit coupling. In this molecular dynamics method based on the propagation of the …