Sökning: "Xing Chen"

Hittade 2 avhandlingar innehållade orden Xing Chen.

  1. 1. Theoretical Studies on Magnetic and Photochemical Properties of Organic Molecules

    Författare :Xing Chen; Olav Vahtras; Zilvinas Rinkevicius; Ian Carmichael; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : The present thesis is concerned with the theoretical studies on magnetic and photochemical properties of organic molecules. The ab initio and first principles theories were employed to investigate the vibrational effects on the isotropic hyperfine coupling constant (HFCC) known as the critical parameter in electron paramagnetic resonance spectrum, the theoretical simulations of the vibronically resolved molecular spectra, the photo-induced reaction mechanism of α-santonin and the spin-forbidden reaction of triplet-state dioxygen with cofactor-free enzyme. LÄS MER

  3. 2. Theoretical studies on molecular magnetic properties

    Författare :Xing Chen; Olav Vahtras; Jozef Kowalewski; Sten Lundell; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : .... LÄS MER