Search for dissertations about: "theoretical and experimental curves"

Showing result 1 - 5 of 30 swedish dissertations containing the words theoretical and experimental curves.

  1. 1. Thermodynamics and Structure of Plate-Like Particle Dispersions

    University dissertation from Department of Chemistry, Lund University

    Author : Maxime Delhorme; Lunds universitet.; Lund University.; [2012]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Charge anisotropy; Gel phase; Model clay system; Liquid-crystal phases; Plate-like particles; Simulations; Statistical mechanics;

    Abstract : Popular Abstract in English Most people see chemistry as an abstract and complicated subject because it deals with species that can not be seen with bare eyes. But if one think about it, chemistry is everywhere! Chemical processes happen all around you and inside you everyday : there is chemistry in the human body where proteins play a great role, in shampoo bottles, the toothpaste, in the cement that is used to build houses. READ MORE

  2. 2. Quantum Nuclear Dynamics in Resonant X-ray Scattering of Gas-Phase and Liquid Systems

    University dissertation from Stockholm : KTH Royal Institute of Technology

    Author : Vinicius Vaz da Cruz; KTH.; [2018]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; resonant inelastic X-ray scattering; X-ray absorption; water; methanol; CO; rotational doppler effect; recoil; wave packet; non-Franck-Condon effect; ultra-fast molecular dissociation; potential energy surface; hydrogen bond; liquid; Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

    Abstract : This thesis focuses on the role of the nuclear degrees of freedom in X-ray induced molecular processes. An important part of it is devoted to establishing theoretical principles to model and interpret high-resolution resonant X-ray scattering experiments in gases and liquids. READ MORE

  3. 3. Theoretical prediction of ionisation properties of proteins

    University dissertation from Stockholm : Karolinska Institutet, Biosciences and Nutrition

    Author : Assen Koumanov; Karolinska Institutet.; Karolinska Institutet.; [2003]

    Abstract : This work emphasises on elaboration of improved theoretical and computational methods for determination of protonation/deprotonation equilibria in proteins. It also aims to contribute for a better understanding on atomic level of ionisation properties of proteins and their role in structure-functional relationship. READ MORE

  4. 4. Quantum mechanical studies of ionization and electron transfer in diatomic systems O2 and H+ + H-

    University dissertation from Stockholm : KTH

    Author : Michael Stenrup; KTH.; [2008]

    Abstract :  The present thesis is based upon two papers concerning the core-valence double onization of molecular oxygen and mutual neutralization of H+ and H- ions at low collision energies.The former of these processes has been studied for the first time using a magnetic bottle time-of-ight electron coincidence spectrometer in combination with ab initio electronic structure calculations. READ MORE

  5. 5. Water in and on ionic materials Structure, energetics, and vibrations

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Getachew Kebede; Uppsala universitet.; [2018]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; DFT; dispersion interactions; OH stretching frequency; electric field; dipole moment; Hydrogen bond; ionic surfaces; ionic hydrates;

    Abstract : Many chemical and physical phenomena in nature, in industrial processes, and in our daily lives take place at water/solid interfaces. The aim of this thesis is to further our knowledge of such processes at a molecular level. READ MORE