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Dissertations / Theses on the topic 'Electronic absorption spectra'

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Published: 4 June 2021

Last updated: 27 July 2025

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1

Lane, Joseph Robert, and n/a. "Application of electronic structure calculations to atmospheric trace species." University of Otago. Department of Chemistry, 2008. http://adt.otago.ac.nz./public/adt-NZDU20080707.100923.

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The chemistry and dynamics of our atmosphere are complex and diverse. A plethora of different chemical reactions are thought to be important, of which only some are known, and even less are well understood. Many of these atmospheric reactions involve highly reactive or unstable trace species, which can be difficult to study experimentally. However, the advancement of computational methods and hardware now make it possible to investigate these chemical species theoretically to an accuracy that is useful for atmospheric chemistry. In this thesis, we have applied modern electronic structure metho

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2

Hassan, Karim H. "Absorption and laser induced fluorescence spectra of some aromatic molecules." Thesis, University of Reading, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.278083.

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3

Manamperi, Hemanthi D. "Multi-electron Platinum Monomer and Dimer Complexes: Synthesis and Electrochemical Characterization." University of Cincinnati / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1384850117.

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4

Johns, Heather M. "Constrained analysis of Ti line absorption spectra in OMEGA direct-drive implosions." abstract and full text PDF (UNR users only), 2008. http://0-gateway.proquest.com.innopac.library.unr.edu/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:1456409.

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5

Unsworth, Paul. "Spectroscopic studies of metal alloys and semiconductor interfaces." Thesis, University of Liverpool, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.343647.

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6

Lovisa, Stephane. "Propriétés optiques de puits quantiques de CdTe contenant un gaz d'électrons bidimensionnel." Université Joseph Fourier (Grenoble ; 1971-2015), 1998. http://www.theses.fr/1998GRE10099.

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Les proprietes optiques et magneto-optiques de puits quantiques de cdte contenant un gaz d'electrons bidimensionnel ont ete etudiees par spectroscopie d'absorption et d'emission, en fonction de la concentration des electrons. Une premiere etude par spectroscopie d'emission, effectuee sur une serie d'echantillons a densite electronique fixe, a montre que la masse effective des electrons depend fortement de leur concentration. Des calculs tenant compte des effets a n corps expliquent bien cette renormalisation de masse. Par ailleurs, des dispositifs schottky ont ete realises qui permettent de va

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7

Strong, Andrew Edward. "Self-assembling monolayers of helical oligopeptides with applications in molecular electronics." Thesis, University of Strathclyde, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.366950.

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8

Chan, Mau Hing. "Photothermal deflection spectroscopy of novel electronic materials." HKBU Institutional Repository, 1996. http://repository.hkbu.edu.hk/etd_ra/66.

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9

Zhu, Tianyang. "Ab Initio Modeling of the Electronic Absorption Spectrum of Previtamin D in Solution." Thesis, California State University, Long Beach, 2017. http://pqdtopen.proquest.com/#viewpdf?dispub=10265071.

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<p> To study the solvent effects of water on the previtamin D absorption spectrum, we use the quantum mechanics (QM)/molecular mechanics (MM) method combined with replica-exchange molecular dynamics (REMD). The QM method is applied for the previtamin D molecule and the MM method is used for the water molecules. To enhance conformational sampling of the flexible previtamin D molecule we apply REMD. </p><p> Based on the REMD structures, we calculate the macroscopic ensemble of the absorption spectrum in solution by time-dependent density functional theory (TDDFT). Comparison between the calcul

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10

Ikeno, Hidekazu. "Relativistic Many-Electron Calculations for L2,3X-ray Absorption Spectra of 3d Transition Metal Compounds." 京都大学 (Kyoto University), 2007. http://hdl.handle.net/2433/77795.

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11

Devitt, Andrew Maurice. "Time and angle resolved phonon absorption in the fractional quantum hall regime." Thesis, University of Nottingham, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.342525.

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12

Alata, Ivan. "Caractérisation et dynamique des états excités des molécules aromatiques protonées." Thesis, Paris 11, 2012. http://www.theses.fr/2012PA112187/document.

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Les molécules aromatiques protonées jouent un rôle important dans les réactions de substitution électrophile aromatique, et dans différents processus biologiques. Ces molécules sont présentes aussi dans d’autres milieux tels que les flammes de combustion, les plasmas de divers hydrocarbures, les ionosphères planétaires (Titan) et le milieu interstellaire. Les molécules protonées sont très stables car elles ont des couches électroniques complètes mais elles sont en général très sensibles à leur environnement local car elles sont chargées : une étude en phase gazeuse est nécessaire pour détermin

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13

Shaw-Taberlet, Jennifer. "DISPOSITIFS MOLECULAIRES FONCTIONNELS A BASE ORGANOMETALLIQUE." Phd thesis, Université Rennes 1, 2006. http://tel.archives-ouvertes.fr/tel-00116762.

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Chapter 1.<br />1-Ethynyl-2-phenyltetramethyldisilanes HCºCSiMe2SiMe2C6H4-p-X [X = NMe2(1.1), Me (1.2), H (1.3), Br (1.4), CF3 (1.5)] are accessible from ClSiMe2SiMe2Cl, BrMgC6H4X and HCºCMgBr in a two step Grignard reaction. The crystal structure of 1.1 as determined by single crystal X-ray crystallography exhibits a nearly planar PhNMe2 moiety and an unusual gauche array of the phenyl and the acetylene group with respect to rotation around the Si-Si-bond. Full geometry optimization (B3LYP/6- 31+G**) of the gas phase structures of 1.1 and 1.3 affords minima for the gauche and the trans rotati

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14

Brown, Graeme. "Time-resolved ultrafast spectroscopy of wide-gap II-VI semiconductor quantum wells." Thesis, Heriot-Watt University, 2001. http://hdl.handle.net/10399/502.

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15

Yang, Li. "First-principles Calculations on the Electronic, Vibrational, and Optical Properties of Semiconductor Nanowires." Diss., Georgia Institute of Technology, 2006. http://hdl.handle.net/1853/14133.

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The first part of my PhD work is about the lattice vibrations in silicon nanowires. First-principles calculations based on the linear response are performed to investigate the quantum confinement effect in lattice vibrations of silicon nanowires (SiNW). The radial breathing modes (RBM) are found in our calculations, which have a different size-dependent frequency shift compared with the optical modes. They are well explained by the elastic model. Finally, the relative activity of the Raman scattering in the smallest SiNW is calculated. The RBM can be clearly identified in the Raman spectrum, w

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16

Harris, Peter John. "Preparation and characterisation of light emitting porous semiconductors." Thesis, De Montfort University, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.391080.

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17

EVORA, MARIA C. C. "Estudo do efeito da radiacao sobre a poliamida-6 reciclada." reponame:Repositório Institucional do IPEN, 2001. http://repositorio.ipen.br:8080/xmlui/handle/123456789/10958.

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Made available in DSpace on 2014-10-09T12:46:06Z (GMT). No. of bitstreams: 0<br>Made available in DSpace on 2014-10-09T14:00:08Z (GMT). No. of bitstreams: 1 07532.pdf: 3162084 bytes, checksum: 818e0972ee585d0c6e8f0a4901ff5b93 (MD5)<br>Dissertacao (Mestrado)<br>IPEN/D<br>Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP

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18

ROUS, JEAN. "Proprietes electroniques de la vapeur dense de cesium, par transmission optique au voisinage du premier doublet de resonance." Paris 6, 1986. http://www.theses.fr/1986PA066429.

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Un plasma a forte correlation est constitue par une lame mince de cesium vaporise entre 900 et 1500**(o)c sous une pression totale d'argon variant jusqu'a 110 bars. Le parametre de non idealite de ce plasma est compris entre 1 et 5. Le cesium a ete choisi pour son tres faible potentiel d'ionisation, une polarisabilite atomique elevee et le point critique ( 1651**(o)c, 92 bars) le plus bas parmi les metaux alcalins. Par transmission optique, on mesure, autour du premier doublet de resonance (8943-8521 a**(o)) des coefficients d'absorption compris entre 0,3 et 0,6mu m**(-1) et des elargissements

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19

Xu, Chenzhi. "Optical Spectrocopy on Nanostructrured Materials." Thesis, KTH, Skolan för informations- och kommunikationsteknik (ICT), 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-174866.

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Solar cells are designed to transform the optical energy into electrical energy. Using solar energy is the best way for humans to solve the energy shortage problem. Dye sensitized solar cell(DSSC) has a low cost and helps people to obtain the solar energy expediently. The DSSC is based on nano structured TiO2 ; and dye molecules help the particles of TiO2 to absorb more photons. Hence DSSC has higher efficiency than SC(solar cell without dye). This thesis elaborates and analyzes the dye which is sensitized to TiO2. The absorption spectrum of the dye was achieved. Two kinds of dye sample were m

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20

CARDIA, ROBERTO. "Computational investigation on polycyclic aromatic hydrocarbons in the molecular and solid phases." Doctoral thesis, Università degli Studi di Cagliari, 2016. http://hdl.handle.net/11584/266672.

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In this Thesis we discuss the effects of specific chemical functional- ization and partial/complete atomic substitution on the electronic (ground-/excited-state) and charge-transport properties of small or- ganic compounds of interest for molecular electronics. In particular, we considered several Polycyclic Aromatic Hydro- carbons (PAHs) with different morphologies (small-compact, com- pact, angular and linear). For these molecules we study the effects of complete substitution of the peripheral H atoms with halogens (F and CL), the functionalization with Triisopropylsilylethynil (TIPS) group,

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21

Gedik, Nuh. "Recombination and propagation of quasiparticles in cuprate superconductors." Berkeley, Calif. : Oak Ridge, Tenn. : Lawrence Berkeley National Laboratory ; distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2004. http://www.osti.gov/servlets/purl/842568-Q1sG4c/native/.

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doctoral thesis, Ph.D, University of California, Berkeley, Berkeley, CA.<br>Published through the Information Bridge: DOE Scientific and Technical Information. "LBNL--55855" Gedik, Nuh. USDOE Director. Office of Science. Office of Basic Energy Sciences 05/20/2004. Report is also available in paper and microfiche from NTIS.

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22

PAGANINI, PAULA P. "Síntese e caracterização de nanopartículas de óxido misto de estanho/titânio dopadas com lantanídeos para marcação biológica." reponame:Repositório Institucional do IPEN, 2012. http://repositorio.ipen.br:8080/xmlui/handle/123456789/10182.

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Made available in DSpace on 2014-10-09T12:35:42Z (GMT). No. of bitstreams: 0<br>Made available in DSpace on 2014-10-09T14:03:56Z (GMT). No. of bitstreams: 0<br>Tese (Doutoramento)<br>IPEN/T<br>Instituto de Pesquisas Energeticas e Nucleares - IPEN-CNEN/SP

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23

Chomette, André. "Proprietes electroniques et optiques des superreseaux gaas/gaalas de petites periodes." Paris 6, 1988. http://www.theses.fr/1988PA066146.

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24

QUINA, ANTONIO de J. A. de. "Estudos das Propriedades de Termoluminescência (TL), Ressonância Paramagnética (EPR) e Absorção Ótica (AO) para caracterização do mineral Monticelita." reponame:Repositório Institucional do IPEN, 2016. http://repositorio.ipen.br:8080/xmlui/handle/123456789/26943.

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Submitted by Marco Antonio Oliveira da Silva (maosilva@ipen.br) on 2016-12-22T12:40:27Z No. of bitstreams: 0<br>Made available in DSpace on 2016-12-22T12:40:27Z (GMT). No. of bitstreams: 0<br>Foram estudados as propriedades de absorção ótica, de termoluminescência e de ressonância paramagnética eletrônica do mineral natural de silicato de nome MONTICELITA do grupo Olivina, para caracterização desse mineral, cuja formula química é CaMgSiO4. A absorção ótica mostrou que há três bandas de absorção em 450 nm, 660 nm e 1050 nm. As duas primeiras bandas, a primeira no azul e a segunda no amarelo-ve

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25

Durbeej, Bo. "Quantum Chemical Studies of Protein-Bound Chromophores, UV-Light Induced DNA Damages, and Lignin Formation." Doctoral thesis, Uppsala University, Quantum Chemistry, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4531.

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<p>Quantum chemical methods have been used to provide a better understanding of the photochemistry of astaxanthin and phytochromobilin; the photoenzymic repair of UV-light induced DNA damages; and the formation of lignin. </p><p>The carotenoid astaxanthin (AXT) is responsible for the colouration of lobster shell. In solution, the electronic absorption spectra of AXT peak in the 470-490 nm region, corresponding to an orange-red colouration. Upon binding to the lobster-shell protein-complex α-crustacyanin, the absorption maximum is shifted to 632 nm, yielding a slate-blue colouration. Herein, th

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26

Sagnes, Isabelle. "Propriétés électro-optiques des hétérostructures épitaxiées sur silicium." Université Joseph Fourier (Grenoble ; 1971-2015), 1994. http://www.theses.fr/1994GRE10100.

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Les progres des techniques de croissance cristalline permettent aujourd'hui de fabriquer sur un substrat de silicium une large variete d'heterostructures epitaxiees a base de siliciures metalliques ou d'alliages silicium-germanium. Les proprietes de discontinuite de bandes electroniques dans les heterojonctions sige/si et les barrieres schottky permettent d'une part d'etendre jusqu'a l'infra-rouge lointain la detection sur silicium du rayonnement electro-magnetique, d'autre part d'obtenir le confinement bidimensionnel (2d) de gaz de porteurs libres a forte morbilite, tres prometteur pour des a

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27

Thomas, Phillip Sterling. "Matrix-isolation spectroscopy of triplet mono- and dialkyl-substituted pentadiynylidenes and interpretation of their electronic absorption spectra." 2007. http://www.library.wisc.edu/databases/connect/dissertations.html.

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28

Wang, Yin-Kuo, and 王銀國. "First-Principle Studies of Electronic Structures, X-ray Absorption Spectra, Optical Properties and Magnetism in Transition Metal Compounds." Thesis, 2003. http://ndltd.ncl.edu.tw/handle/18050210565269231588.

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博士<br>國立臺灣大學<br>物理學研究所<br>92<br>In this thesis, we used full-potential linearized augmented-plane-wave method (FLAPW), and generalized gradient approximation (GGA) based on first-principles density-functional theory (DFT), to study the electronic structure and relative physical properties of a series of transition metals. The results are compared and discussed to the experimental values and other theories. In the first part, we calculated lattice constants, bulk modulii, X-ray absorption near-edge spectra (XANES) and optical properties of Ni3Al, Ni3Ga and Ni3In, which are in good ag

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29

Raekers, Michael. "An x-ray spectroscopic study of novel materials for electronic applications." Doctoral thesis, 2009. https://repositorium.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-2009061010.

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The electronic and magnetic structure of the colossal magneto resistance material La1-xSrxMnO3, the high-k and strain tailoring compounds REScO3 (Sm, Gd, Dy) and the multiferroic LuFe2O4 was investigated by means of x-ray spectroscopic techniques. SQUID measurements of La1-xSrxMnO3 (x = 0.125, 0.17, 0.36) were compared with XMCD results. The very good agreement between these two experiments proofs the applicability of the correction factor for the spin magnetic moment and the importance of charge transfer. The magnetic moment measured by SQUID and that determined from XMCD proofs that the mag

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30

"On the radiation fields of scattered laser light by an electron and study of absorption spectrum of Dy:LaCl = Dy:LaCl." Chinese University of Hong Kong, 1986. http://library.cuhk.edu.hk/record=b5885712.

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31

Ouerdane, Henni. "Influence of Ultrafast Carrier Dynamics on Semiconductor Absorption Spectra." Phd thesis, 2002. http://tel.archives-ouvertes.fr/tel-00001905.

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Nous presentons une description theorique du role joue par les effets a N-corps dans le phenomene d'absorption dans les heterojonctions (puits quantiques) a basse temperature. Les proprietes optiques des semiconducteurs et leur connection aux proprietes thermodynamiques du plasma electron-trou quasi-2D sont etudiees dans les regimes a l'equilibre et hors d'equilibre. Ce travail a ete motive par une serie d'experiences pompe-sonde avec excitation selective des etats de spin, realisees a Heriot-Watt University. L'interpretation des resultats experimentaux est toutefois extremement difficile a ca

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32

Teh, Hung-Hsuan, and 戴宏軒. "Applicability of the LSC-IVR and Its Applications to Absorption Spectra and Electron Transfer Theory." Thesis, 2014. http://ndltd.ncl.edu.tw/handle/81893150268599487234.

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碩士<br>國立臺灣大學<br>化學研究所<br>102<br>In this thesis, we perform theoretical investigations on dynamical processes in condensed phases and spectra by utilizing the linearized semiclassical initial value representation (LSC-IVR) in the Meyer-Miller representation. First, we apply this method to the Frenkel exciton model, determining its applicable regime by comparing the population dynamics with numerically exact quasi adiabatic path integral results. Our calculations suggest that this method gives correct oscillating frequencies but incorrect equilibrium populations. Besides, the decoherence rate ar

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33

Spáčil, Dušan. "Povrchem-zesílený resonanční Ramanův rozptyl Zn(II) porfyrinů v systémech s agregovanými a neagregovanými Ag nanočásticemi." Master's thesis, 2011. http://www.nusl.cz/ntk/nusl-297666.

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In this diploma thesis, SERRS(Surface - enhanced resonance Raman Scattering) and SERS (Surface - enhanced Raman Scattering), surface of plasmon extinction spectra and TEM images of systems with tetracationic zinc porphyrin ZnTMPyP and silver nanoparticles (Ag NPs) were studied and interpreted. The systems with isolated nanoparticles and the systems with compact aggregates were investigated. The systems with isolated nanoparticles were prepared by addition of ZnTMPyP to hydrosol of Ag NPs. NaCl was added to this system and so compact aggregates were prepared. SERRS and SERS spectra of ZnTMPyP w

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34

Wendt, Martin [Verfasser]. "Probing cosmological variation of the proton-to-electron mass ratio by means of quasar absorption spectra / vorgelegt von Martin Wendt." 2010. http://d-nb.info/1006520015/34.

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35

Chowdhury, Brojokishore. "Nature Of Solute-Solvent Interaction : Effect Of Solvent Polarity On Excited State Structure Of 2,2,2-Trifluroacetophenone And Effect Of Hydrogen Bonding In Hydrated Electron Absorption Spectrum." Thesis, 2006. https://etd.iisc.ac.in/handle/2005/602.

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In solution, the environment around the solute is determined solely by the solvent molecules, which are present closer to the solute. This interaction between solute and solvent shell is very crucial for equilibrium structure and reactivity of the solute. In the thesis, first we have investigated control of solvent polarity on the excited structure of 2,2,2 trifluroacetophenone and later effect of electronic excitation on the solvent shell organization has been described. It has been reported in literature that the lowest energy triplet configuration of 2,2,2 trifluroacetophenone corresponds

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36

Chowdhury, Brojokishore. "Nature Of Solute-Solvent Interaction : Effect Of Solvent Polarity On Excited State Structure Of 2,2,2-Trifluroacetophenone And Effect Of Hydrogen Bonding In Hydrated Electron Absorption Spectrum." Thesis, 2006. http://hdl.handle.net/2005/602.

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In solution, the environment around the solute is determined solely by the solvent molecules, which are present closer to the solute. This interaction between solute and solvent shell is very crucial for equilibrium structure and reactivity of the solute. In the thesis, first we have investigated control of solvent polarity on the excited structure of 2,2,2 trifluroacetophenone and later effect of electronic excitation on the solvent shell organization has been described. It has been reported in literature that the lowest energy triplet configuration of 2,2,2 trifluroacetophenone corresponds

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(5930030), Antoine P. Martin. "Light Reactions of Photosynthesis: Exploring Early Energy and Electron Transfers in Cyanobacterial Photosystem I via Optical Spectroscopy." Thesis, 2020.

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<p>Early processes following photon absorption by the photosynthetic pigment-protein complex photosystem I (PS I) have been the subject of decades of research, yet many questions remain in this area of study. Among the trickiest to investigate is the role of the PS I reaction center’s (RC’s) two accessory (A<sub>‑1</sub>) chlorophyll (Chl) cofactors as primary electron donors or acceptors, oxidizing the special pair (P<sub>700</sub>) of Chls or reducing a nominal primary electron acceptor (A<sub>0</sub>) Chl in the first electron transfer step. Such processes, which occur on a picosecond times

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(9159935), Asaduzzaman Mohammad. "Optical Properties and Application Of Template Assisted Electrodeposited Nanowires And Nanostructures." Thesis, 2020.

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<div>Self-assembled templates allow the creation of many complex arrays of nanostructures, which would be extremely difficult and expensive, if not impossible, to realize using any of the other available fabrication techniques. The complexity of these advanced nanostructures, synthesized using the various template assisted electrodeposition techniques, can be controlled to nanometer scale range by tuning the structural properties of the template, which is achieved by adjusting its various growth parameters during the self-assembly process.</div><div>Electrodeposition allows the creation of arr

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