Essays about: "Teoretisk kemi"

Showing result 21 - 25 of 25 essays containing the words Teoretisk kemi.

  1. 21. Theoretical study of the reactionPH3 + H → TS‡ → PH2 + H2

    University essay from Teoretisk kemi

    Author : Tobias Andersson; [2012]
    Keywords : ;

    Abstract : .... READ MORE

  3. 22. Theoretical investigation of the first-order hyperpolarizability in the two-photon resonant region

    University essay from Institutionen för fysik, kemi och biologi

    Author : Mikael Bergstedt; [2007]
    Keywords : two-photon absorption; first-order hyperpolarizability; responce theory; time-dependent density functional theory; Hartree-Fock approximation;

    Abstract : Time-dependent density functional theory calculations have been carried out to determine the complex first-order hyperpolarizability in the two-photon resonance region of the molecule IDS-Cab. Calculations show that three strongly absorbing states, in the ultraviolet region, are separated to the extent that no significant interference of the imaginary parts of the tensor elements of the first-order hyper-polarizability occurs. READ MORE

  4. 23. The Frequency Dependence of the Surface Sensitivity of Resonator Biosensors

    University essay from Institutionen för fysik, kemi och biologi

    Author : Christian Lennartsson; [2007]
    Keywords : Biosensor; QCM; FBAR; Protein kinetics;

    Abstract : En studie i hur känsligheten avtar från ytan hos biosensorer med höga frekvenser presenteras. Med ny teknologi som avancerade elektroakustiska tunnfilms komponenter, så kallade FBARs, blir tidigare outforskade områden som decay längden möjliga att studera. READ MORE

  5. 24. First-Principles calculations of Core-Level shifts in random metallic alloys: The Transition State Approach

    University essay from Institutionen för fysik, kemi och biologi

    Author : Christian Göransson (Asker); [2004]
    Keywords : Theoretical physics; Density-functional theory; Random Alloys; Coherent-Potential Approximation; Transition-State model; Complete Screening; Teoretisk fysik;

    Abstract : The overall aim of this thesis is to compare different methods for calculation of Core-Level shifts in metallic alloys. The methods compared are the Initial State model, the Complete screening and the Transition state model. Core-level shifts can give information of chemical bonding and about the electronic structure in solids. READ MORE

  6. 25. Ab-initio study of disorder broadening of core photoemission spectra in random metallic alloys

    University essay from Institutionen för fysik, kemi och biologi

    Author : Tobias Marten; [2004]
    Keywords : Theoretical physics; Density-Functional Theory; Core-Level Shift; Random Alloy; Coherent Potential Approximation; Supercell; Local Interaction Zone; Teoretisk fysik;

    Abstract : Ab-initio results of the core-level shift and the distribution about the average for the 3d5/2 electrons of Ag, Pd and 2p3/2 of Cu are presented for the face-centered-cubic AgPd and CuPd random alloys. The complete screening model, which includes both initial and final states effects in the same scheme, has been used in the investigations. READ MORE