Sökning: "Quantum Chemistry"

Visar resultat 6 - 10 av 361 avhandlingar innehållade orden Quantum Chemistry.

1. 6. Quantum Chemistry for Large Systems

   Författare :Elias Rudberg; Pawel Salek; Christian Ochsenfeld; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; fast multipole method; density matrix purification; sparse matrices; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : This thesis deals with quantum chemistry methods for large systems. In particular, the thesis focuses on the efficient construction of the Coulomb and exchange matrices which are important parts of the Fock matrix in Hartree-Fock calculations. LÄS MER

3. 7. Highly Efficient CIGS Based Devices for Solar Hydrogen Production and Size Dependent Properties of ZnO Quantum Dots

   Författare :T. Jesper Jacobsson; Tomas Edvinsson; Laurence Peter; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; ZnO; Nanoparticles; Quanum Dots; Size Dependent Properties; Hematite; CIGS; Solar Water Splitting; Hydrogen Production; PEC; Photoelectrochemical cells; PV-electrolysis; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

   Sammanfattning : Materials and device concepts for renewable solar hydrogen production, and size dependent properties of ZnO quantum dots are the two main themes of this thesis.ZnO particles with diameters less than 10 nm, which are small enough for electronic quantum confinement, were synthesized by hydrolysis in alkaline zinc acetate solutions. LÄS MER

4. 8. Unravelling Sensitisation and Quenching Pathways in Lanthanide Luminophores

   Författare :Salauat Kiraev; Eszter Borbas; Thomas Just Sørensen; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Lanthanide; Luminescence; Sensitisation; Quenching; Energy Transfer; Electron transfer; Kemi; Chemistry;

   Sammanfattning : Lanthanide (Ln) ions find use in cellular detection and probing of many analytes, owing to their unique photophysical properties. However, to make the Ln emission efficient, one has to develop a light-harvesting antenna, which is an organic chromophore that absorbs and transfers energy to the Ln. LÄS MER

5. 9. Quantum Dynamics of Molecular Systems and Guided Matter Waves

   Författare :Mauritz Andersson; Tamar Seideman; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; quantum dynamics; femtosecond spectroscopy; photoelectron spectroscopy; resonances; nonadiabatic interaction; coherent state representation; adaptive numerical method; Kvantkemi; Quantum chemistry; Kvantkemi; Quantum Chemistry; kvantkemi;

   Sammanfattning : Quantum dynamics is the study of time-dependent phenomena in fundamental processes of atomic and molecular systems. This thesis focuses on systems where nature reveals its quantum aspect; e.g. in vibrational resonance structures, in wave packet revivals and in matter wave interferometry. LÄS MER

7. 10. Synthesis and development of compounds for nonlinear absorption of light

   Författare :Tomas Kindahl; Bertil Eliasson; Sascha Ott; Umeå universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Platinum acetylide; nonlinear absorption; optical power limiting; oxazole; quantum chemistry calculation; quantum chemical calculation; triplet absorption; organisk kemi; Organic Chemistry; fysikalisk kemi; Physical Chemistry; Quantum Chemistry; kvantkemi;

   Sammanfattning : High-intensity light — for instance that from a laser — can be destructive, not only to the human eye, but also to equipment such as imaging sensors and optical communication devices. Therefore, effective protection against such light is desirable. LÄS MER