Search for dissertations about: "Corneliu I. Oprea"
Found 2 swedish dissertations containing the words Corneliu I. Oprea.
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1. Theoretical calculations of heavy atom effects in magnetic resonance spectroscopy
Abstract : This thesis presents quantum chemical calculations, applications of the response function formalism recently implemented within the framework of density functional theory (DFT) by our research group. The purpose of the calculations is to assess the performance of this perturbative approach to determining heavy atom effects on magnetic resonance parameters. READ MORE
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2. Density Functional Response Theory with Applications to Electron and Nuclear Magnetic Resonance
Abstract : This thesis presents quantum chemical calculations, applications of the response function formalism recently implemented within the framework of density functional theory by our research group. The purpose of the calculations is to assess the performance of this perturbative approach to determining heavy atom effects on magnetic resonance parameters. READ MORE