Search for dissertations about: "Bin Gao"

Found 1 swedish dissertation containing the words Bin Gao.

2. 1. First Principles Studies of Carbon Based Molecular Materials

   Author : Bin Gao; Yi Luo; Piero Decleva; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; first principles simulations; carbon based molecular materials; X-ray spectroscopies; Theoretical chemistry; Teoretisk kemi;

   Abstract : The aim of this thesis was to investigate carbon based molecular materials at first principles levels. Special attention has been paid to simulations of X-ray spectroscopies, including near edge X-ray absorption fine structure (NEXAFS), X-ray photoelectron, and X-ray emission spectroscopy, which can provide detailed information about core, occupied and unoccupied molecular orbitals of the systems under investigation. READ MORE