Sökning: "molecular physics"

Visar resultat 1 - 5 av 966 avhandlingar innehållade orden molecular physics.

  1. 1. Molecular Hole Punching : Impulse Driven Reactions in Molecules and Molecular Clusters

    Författare :Michael Gatchell; Henning Zettergren; Henrik Cederquist; Henning Schmidt; Joachim Burgdörfer; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; PAHs; Fullernes; Reactions; Clusters; Interstellar Medium; Fragmentation; Non-Statistical Fragmentation; Collisions; Experiments; Molecular Dynamics; Density Functional Theory; fysik; Physics;

    Sammanfattning : When molecules are excited by photons or energetic particles, they will cool through the emission of photons, electrons, or by fragmenting. Such processes are often thermal as they occur after the excitation energy has been redistributed across all degrees-of-freedom in the system. LÄS MER

  2. 2. Molecular Electronics : A Theoretical Study of Electronic Structure of Bulk and Interfaces

    Författare :Mikael Unge; Sven Stafström; Mads Brandbyge; Linköpings universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; molecular electronics; electron transport; disorder; localization; long-range correlation; organometallic magnets; interface dipole; Computational physics; Beräkningsfysik;

    Sammanfattning : This thesis deals with theoretical studies of the electronic structure of molecules used in the context of molecular electronics. Both studies with model Hamiltonians and first principle calculations have been performed. LÄS MER

  3. 3. Molecular Electronics : Insight from Ab-Initio Transport Simulations

    Författare :Jariyanee Prasongkit; Rajeev Ahuja; Magnus Paulsson; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Molecular Electronics; Ab Initio; DNA Sequencing; Nanoscience; Graphene; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : This thesis presents the theoretical studies of electronic transport in molecular electronic devices. Such devices have been proposed and investigated as a promising new approach that complements conventional silicon-based electronics. LÄS MER

  4. 4. Solving the quantum scattering problem for systems of two and three charged particles

    Författare :Mikhail Volkov; Nils Elander; William McCurdy; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Scattering theory; three body scattering; Atomic and molecular physics; Atom- och molekylfysik; Mathematical physics; Matematisk fysik; fysik; Physics;

    Sammanfattning : A rigorous formalism for solving the Coulomb scattering problem is presented in this thesis. The approach is based on splitting the interaction potential into a finite-range part and a long-range tail part. In this representation the scattering problem can be reformulated to one which is suitable for applying exterior complex scaling. LÄS MER

  5. 5. Reaction dynamics on highly excited states

    Författare :Johanna Brinne Roos; Åsa Larson; Ioan F. Schneider; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; ab initio calculations; dissociative recombination; resonant ion-pair formation; mutual neutralization; molecular electronic states; molecule-electron collisions; quantum chemistry; molecular dynamics; Chemical physics; Kemisk fysik; Molecular physics; Molekylfysik; kemisk fysik; Chemical Physics;

    Sammanfattning : In this thesis I have performed theoretical studies on the reaction dynamics in few-atom molecules. In particular, I have looked at reaction processes in which highly excited resonant states are involved. LÄS MER