Essays about: "Theoretical chemistry"

Showing result 1 - 5 of 41 essays containing the words Theoretical chemistry.

  1. 1. A Quantum Chemical Investigation of Chemical Vapour Deposition of Fe using Ferrocene and Plasma Electrons

    University essay from Linköpings universitet/Kemi

    Author : Felicia Andersson; [2023]
    Keywords : Quantum chemistry; Ferrocene; Silver; Ag 111 ; Plasma electrons; Surface chemistry; Electronic structure; DFT; Kvantkemi; Ferrocen; Silver; Ag 111 ; Plasmaelektroner; Ytkemi; Elektronstruktur; DFT;

    Abstract : Thin films provide a remarkable asset, as depositing a thin surface layer can completely alter a material’s characteristics and provide new, inexpensive, and valuable properties. In 2020, a new Chemical Vapour Deposition (CVD) approach was developed at Linköping University, using plasma electrons as reducing agents for the deposition of metallic thin films. READ MORE

  3. 2. Computational study of the photophysical properties of two related photosensitizer proteins

    University essay from KTH/Kemi

    Author : Benjamin Fégeant; [2023]
    Keywords : Photosensitizer proteins; QM MM; photophysics; molecular dynamics; computational protocol for protein preparation; Fotosensibiliserande proteiner; QM MM; fotofysik; molekylär dynamik; beräkningsprotokoll för förberedelser av proteiner;

    Abstract : Den ökande koldioxidhalten i atmosfären har lett till ett ökat intresse för användning av solljus, ett exempel är inom kemi. Att använda ljus i kemi kan leda till nya och intressanta kemiska reaktioner och kan tillämpas i användningsområden som exempelvis fotokatalys och fotovoltaik. READ MORE

  4. 3. Water purification of ibuprofen using whey protein aerogels with and without PNF-structure

    University essay from KTH/Skolan för industriell teknik och management (ITM)

    Author : Jessica Lyrner Morén; David Jonsson; [2023]
    Keywords : Aerogels; water purification; ibuprofen; protein nanofibrils PNF ; whey protein; attitudes; scientific research; Aerogeler; vattenrening; ibuprofen; protein nanofibriller PNF ; vassleprotein; attityder; naturvetenskaplig forskning;

    Abstract : Clean water, free from pharmaceuticals, is important both for land and water living animals. Protein nanofibrils (PNFs) have already been shown to be a promising candidate for water purification of pharmaceuticals but there is a lack of research that compares PNF materials to non-PNF protein materials for water purification. READ MORE

  5. 4. Towards a sustainable substitute for Acrylonitrile Butadiene Styrene (ABS) in automotive industry

    University essay from KTH/Fiber- och polymerteknologi

    Author : Amalia Christoula; [2023]
    Keywords : Polylactide PLA ; Biobased; Life Cycle Analysis LCA ; Impact modifiers; Lignocellulose nanofibers LCNF; Polylaktid PLA ; Biobaserad; Livscykelanalys LCA ; Slagtålighet; Nanofibrer av lignocellulosa LCNF ;

    Abstract : Syftet med detta examensarbete var att utveckla ett hållbart ersättningsmaterial till akrylnitrilbutadienstyren plast (ABS), genom att applicera principerna för grön kemi och teknik. ABS är en icke-nedbrytbar plast som till exempel används i slagtåliga produkter för hyttinteriörer. READ MORE

  6. 5. Aromatic Ring Flips and Local Volume Fluctuations in BPTI

    University essay from Lunds universitet/Biofysikalisk kemi

    Author : Simon Enbom; [2022]
    Keywords : Biophysical Chemistry; Molecular Dynamics; Protein Dynamics; Activation Volume; Aromatic Ring Flips; BPTI; Biology and Life Sciences; Chemistry; Technology and Engineering;

    Abstract : Aromatic ring flips are a classic example of a dynamic process in proteins. Discovered decades ago, methodological limitations hindered progress at the time. Ring flips have gained new interest and experimentalists can measure the flip rate and thermodynamic quantities associated with it. READ MORE