Sökning: "NEMO"

Visar resultat 1 - 5 av 9 avhandlingar innehållade ordet NEMO.

  1. 1. Modeling of intra- and intermolecular potentials

    Författare :Stevica Brdarski; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; N-formylglycinamide; formamide; water dimer; quantum chemistry; molecular dynamics simulations; repulsion modeling; perturbation theory; NEMO; molecular interactions; Teoretisk kemi; kvantkemi;

    Sammanfattning : Modeling of interactions between molecules is investigated by theoretical means within the NEMO model. The model is based on a partitioning of the interaction energy at the Hartree-Fock level into first- and second-order perturbation theory. The interaction energy is given as a sum of electrostatic, induction, repulsion, and dispersion energies. LÄS MER

  3. 2. Calculated Potential Energy Surfaces and Vibrational Analysis

    Författare :Niclas Forsberg; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Benzene; HCO; NEMO; Imaginary Level Shift; Double Harmonic Approximation; Potential Energy Surface; CASPT2; Franck-Condon Factors; CASSCF; p-Benzosemiquinone; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

    Sammanfattning : The focus of this thesis is on the calculation of potential energy surfaces and on the study of vibrational properties. For example: - We have developed a new method for calculation of Franck-Condon factors. - We have calculated full energy surfaces of the ground (X2A’) the excited (B2A’) states of the formyl radical. LÄS MER

  4. 3. Modelling of polarization by molecular force fields: Further development of the NEMO potential

    Författare :Asbjørn Holt; Lunds universitet; []
    Nyckelord :;

    Sammanfattning : Understanding of intermolecular interactions are important in order to gain insight into a large number of physical processes. This thesis concerns itself with theoretical modelling of such interactions. In particular there is a focus one of interaction contributions called polarization. LÄS MER

  5. 4. The role of protein kinases in development and disease

    Författare :Renée Daams; Avdelningen för translationell cancerforskning; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Nemo-like kinase NLK ; JNK kinases; T-Cell; Lung Cancer; Colorectal cancer CRC ; Cell signaling;

    Sammanfattning : .... LÄS MER

  7. 5. Dictum Solonis ad Croesum nemo ante obitum felix. Levi penicillo adumbratum ... moderante ... Johanne Eenberg ... ad examen publicum modeste defert Tiburtius C. Tiburtius, Fahlunensis. In audit. Gust. maj. d. 22. Mart. Anno M.DCC.V. Horis ante meridiem solitis

    Författare :Johan Eenberg; Tiburtius Christopheri Tiburtius; Johan Eenberg; Uppsala universitet; []
    Nyckelord :HUMANIORA; HUMANITIES;

    Sammanfattning : .... LÄS MER