Sökning: "Yi Luo"

Visar resultat 16 - 20 av 38 avhandlingar innehållade orden Yi Luo.

1. 16. Theoretical modeling of X-ray spectroscopy of liquids

   Författare :Stepan Kashtanov; Yi Luo; Rajeev Ahujai; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : .... LÄS MER

3. 17. Elastic and Inelastic Electron Tunneling in Molecular Devices

   Författare :Mathias Kula; Yi Luo; Alessandro Troisi; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; molecular electronics; inelastic electron tunneling spectroscopy; IETS; Green s function; scattering; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : A theoretical framework for calculating electron transport through molecular junctions is presented. It is based on scattering theory using a Green's function formalism. The model can take both elastic and inelastic scattering into account and treats chemical and physical bonds on equal footing. LÄS MER

4. 18. Understanding Electron Transport Properties of Molecular Electronic Devices

   Författare :Mathias Kula; Yi Luo; Giovanni Guniberti; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : his thesis has been devoted to the study of underlying mechanisms for electron transport in molecular electronic devices. Not only has focus been on describing the elastic and inelastic electron transport processes with a Green's function based scattering theory approach, but also on how to construct computational models that are relevant to experimental systems. LÄS MER

5. 19. Conformations of amino acids characterized by theoretical spectroscopy

   Författare :Hongbao Li; Yi Luo; Tanja van Mourik; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; amino acids; spectroscopy; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

   Sammanfattning : Amino acids are the basic building blocks of proteins. The determinationof their structures plays an important role in correctly describing the functionsof the proteins. LÄS MER

7. 20. Theoretical Studies on Vibrationally Resolved Optical Spectra of Polycyclic Aromatic Molecules

   Författare :Junfeng Li; Yi Luo; Antonio Rizzo; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical study; optical spectra; vibronic effect; polycyclic aromatic molecules; Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

   Sammanfattning : Polycyclic aromatic molecules are of great interest owing to their many important applications in chemistry and have therefore been the focus of investigations for over half a century with spectroscopic techniques. This thesis is devoted to the modeling of vibrationally resolved optical spectra of polycyclic aromatic molecules. LÄS MER