Essays about: "hydrogen bond"

Showing result 1 - 5 of 17 essays containing the words hydrogen bond.

  1. 1. A Density Functional Theory Study of Chemical Properties in Atoms and Simple Molecules : Numerical calculations for cylinder symmetrical molecules

    University essay from Linnéuniversitetet/Institutionen för fysik och elektroteknik (IFE)

    Author : Gustav Lönnblad; [2022]
    Keywords : ;

    Abstract : The aim of this study is to study the ground-state of various elements including Hydrogen molecules and Heliumatoms using a self written Density Functional Theory code. We limit ourselves to simple linear moleculesusing cylindrical symmetry, for which the computational difficulty is manageable and appropriate for anundergraduate thesis. READ MORE

  3. 2. Pipe Surface Roughness at Microscale and Discussion of Possible Relation to Flow Properties

    University essay from Lunds universitet/Avdelningen för Teknisk vattenresurslära

    Author : Yiting Qiao; Mahsa Kajbaf Nezhad; [2021]
    Keywords : pipe flow; roughness; microscale; SEM; Technology and Engineering;

    Abstract : Despite decades of intense research, the behavior of water molecule still warrants new research.Water flow through various pipe systems has become a pivotal corner stone of functioning human infrastructure. READ MORE

  4. 3. Deep Eutectic Solvents and Their Possible Application in Transdermal Drug Delivery

    University essay from Lunds universitet/Livsmedelsteknik och nutrition (master)

    Author : Sarah Lindblom; [2020]
    Keywords : Deep Eutectic Solvents; Pharmaceuticals; Transdermal drug delivery; Choline Chloride; Rheology; Formulation; BSA; Franz cell diffusion; Pharmaceutical technology; Läkemedelsteknologi; Technology and Engineering;

    Abstract : Deep eutectic solvents, DES, is a type of solvent made by mixing a quaternary ammonium salt with a hydrogen bond donor at the eutectic point of the system. Most common quaternary ammonium salt is Choline Chloride, ChCl. A specific DES, Choline:CAGE has shown promise in delivering insulin through the skin of mice. READ MORE

  5. 4. Energy Decomposition Analysis of Neutral and Anionic Hydrogen Bonded Dimers Using a Point-Charge Approach

    University essay from KTH/Tillämpad fysikalisk kemi

    Author : André Nyberg Borrfors; [2020]
    Keywords : computational chemistry; density functional theory; chemical interactions; energy decomposition analysis; hydrogen bond; beräkningskemi; täthetsfunktionalteori; kemiska interaktioner; energiuppdelningsanalys; vätebindning;

    Abstract : En stor samling dimolekylära vätebindningar med formen A – H … B, där AH är en alkyn, alkohol eller tiol och B = [Br–, Cl–, NH3, HCN] beräknas och utvärderas med Kohn-Sham täthetsfunktionalteori tillsammans med bassetet m062x/6-311+g(2df.2p). READ MORE

  6. 5. Chemical degradation of PFAS using hydrogen peroxide and persulfate

    University essay from Luleå tekniska universitet/Institutionen för samhällsbyggnad och naturresurser

    Author : Jonathan Bannister; [2020]
    Keywords : PFOS; PFOA; PFBA; Hydrogen Peroxide; Persulfate; Degradation;

    Abstract : PFAS are a group of relatively newly discovered man-made pollutants. PFAS contains a C-F bond which is one of the strongest bonds in organic chemistry. Therefore, PFAS are not easily degradable and, once release into nature, are very persistent. READ MORE