Sökning: "spin-spin coupling constant"

Hittade 2 avhandlingar innehållade orden spin-spin coupling constant.

1. 1. Compounds with Non-Buttressed Metal-Metal Bond between Platinum and Thallium. Model Systems for Photoinduced Two-Electron-Transfer

   Författare :Mikhail Maliarik; KTH; []
   Nyckelord :thallium; platinum; cyanide; metal-metal bond; non-buttressed; heterometallic; photoinduced; electron transfer; redox reaction; NMR; chemical shift; spin-spin coupling constant; Raman; EXAFS; X-ray diffraction; equilibrium; oxidation state; oxidative;

   Sammanfattning : A new family of oligonuclear cyano compounds incorporatingtransition (Pt) and main group (Tl) metals bound with anon-buttressed Pt-Tl bond was synthesised in aqueous solution.The metal-metal linkage is formed in the reaction betweenplatinum and thallium in their stable oxidation forms, Pt(II)and Tl(III), orvice versa: Pt(IV) and Tl(I). LÄS MER

3. 2. Computational Analysis of Carbohydrates : Dynamical Properties and Interactions

   Författare :Robert Eklund; Göran Widmalm; Sören B. Engelsen; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Carbohydrate; DFT; ab initio; docking calculations; Molecular dynamics; Langevin Dynaimcs; structure analysis; carbohydrate-protein interaction; Chemical shift calculations; Spin spin coupling constants.; Organic chemistry; Organisk kemi;

   Sammanfattning : In this thesis a computational complement to experimental observables will be presented. Computational tools such as molecular dynamics and quantum chemical tools will be used to aid in the interpretation of experimentally (NMR) obtained structural data. LÄS MER