Sökning: "Maria Brink"

Hittade 2 avhandlingar innehållade orden Maria Brink.

1. 1. Catalysis of Quantum Chain Photoisomerizations: Calculations of Triplet Energy Surfaces and Measurements of Quantum Yields

   Författare :Maria Brink; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; triplet state; density functional theory; potential energy surface; cis-trans isomerization; adiabatic isomerization; catalysis;

   Sammanfattning : Triplet state cis-trans photoisomerizations of olefins is the theme of this thesis, and the goal is to make the isomerizations as efficient as possible. The shape of the triplet potential energy surface (T1 PES) is essential for this, and the possibility of calculating these T1 PESs for two smaller olefins, using the computationally inexpensive density functional theory (DFT) methods, was investigated. LÄS MER

3. 2. Triplet state cis-trans photoisomerizations : catalysis and calculations

   Författare :Maria Brink; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : .... LÄS MER