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Showing 1 to 20 of 137 for “"vibrational modes"”.
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Physics of Hexagonal Limit-Periodic Phases: Thermodynamics, Formation and Vibrational Modes
… LP states. Finally, we present studies of the vibrational modes of a simple LP ball and spring model whose results indicate that LP materials would exhibit novel physical properties.</p><p>A 2D lattice model defined on a triangular lattice with nearest- and next-nearest-neighbor interactions …
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Estimation of Spacecraft Attitude Motion and Vibrational Modes Using Simultaneous Dual-Latitude Ground-Based Data
… a non-model-based approach to the detection of vibrational modes. Because attitude observability from photometric data is angle-based, dual-site simultaneous photometric observations of a resident space object are predicted to improve the convergence speed and steady-state error of spacecraft …
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Classical Hamiltonian dynamics of a particle interacting with the vibrational modes of a one-dimensional medium
… basic problem of a particle interacting with the vibrational modes of the local medium are important to a large range of physical processes. The complex behavior and underlying properties of polaron dynamics has been the focus of much research for many years. Since the exact quantum mechanical …
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I. Bioanalytical Applications of Polymer Microfluidic Devices. II. Examination of Soft Vibrational Modes for Alkanes Adsorbed on Copper
… presence of a unique spectral feature, a broad vibrational mode that is shifted to lower frequency from the normal C-H stretching region. This work explores the appearance and location of this soft mode in non-reactive systems by examining the vibrational spectra of cyclic and linear alkanes on …
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The Solid State Simulation of the Structure and Vibrational Modes of Organic, Hybrid Organometallic and Inorganic Species Using the CRYSTAL09 Code.
<p>An investigation of the structural and vibrational information of organic, hybrid organometallic and inorganic species was conducted using solid-state density functional theory (DFT). In this work the solid state DFT modeling was accomplished using the CRYSTAL09 code to simulate the geometries …
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Evaluating Temperature Variations, Energy Fluctuations, and Pathways When Excitons Are Transferred in the FMO Complex
… inclusion (or exclusion) of intra-molecular vibrational modes following a characterization of important values. A genetic type algorithm was crucial in parameterizing equations of motion that described energy transfer. Excellent fits to Fenna-Matthews-Olson spectra at 77 K were obtained by …
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Electron spin-lattice relaxation in YB3+ - doped silicate glass
… states consisting of only low frequency extended vibrational modes. This is smaller than the total density of vibrational modes (extended and localized) measured, for example, by neutron scattering. An estimate for the localization frequency or crossover frequency between these two regimes can be …
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Electron spin-lattice relaxation in ytterbium ion-doped silicate glass
… states consisting of only low frequency extended vibrational modes. This is smaller than the total density of vibrational modes (extended and localized) measured, for example, by neutron scattering. An estimate for the localization frequency or crossover frequency between these two regimes can be …
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Effects of Electron-Vibron Coupling in Single-Molecule Magnet Transport Junctions Using a Hybrid Density Functional Theory and Model Hamiltonian Approach
… by electrons tunneling through the molecule. Vibrational modes of the SMM can couple to electronic charge and spin degrees of freedom, and this coupling also influences the magnetic and transport properties of the SMM. The effect of electron-vibron coupling on transport has been extensively …
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Vibrational Relaxation and Delocalization in Molecular Crystals and Biological Systems
Perturbations to the vibrational Hamiltonian of isolated gas molecules resulting from a crystalline environment are examined. FTIR is used to study the effects of two different crystal fields on the vibrational modes of perylene and Picosecond Coherent Raman Scattering (ps CARS) is applied to the …
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Revisiting the theory of alloy thermal conductivity
… gas model (PGM). According to the PGM, the vibrational modes in a material are assumed to be plane-waves, hence they can be modeled as a gas of particles that exchange energy through scattering events. During the last 100 years, the PGM has provided great insights into thermal transport in …
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Some investigations of organotellurium chemistry
… Br and I) are presented. The tellurium-halogen vibrational modes are indicated and . detailed assignments for spectra of Phiexs are offered. The low frequency data and other physical evidence suggested the compounds are associated to some degree with dimeric structures the most probable for …
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How life uses sound to reorganise matter: The role of anharmonic phonon exchange in enzyme catalysis
… substrate molecule based upon anharmonic quantum vibrational modes (molecular phonons) will predict phase transition dynamics due to the presence of the appropriate enzyme. A molecular phonon is one particular individualised wave pattern in the locations of atomic nuclei from the total molecular …
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Investigating the Relationships Between Disorder, Structure, and Dynamics in Amorphous Systems
… to understand the surprising low-frequency vibrational modes in structural glasses, and how it arises from the microscopic disorder in the system, we study the spectra of a large ensemble of sparse random matrices where disorder is controlled by the distribution of bond weights and network …
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Infrared Studies of Rhodopsin, and Its Low Temperature Photoproducts, Bathorhodopsin and Isorhodopsin (Ftir, Vision)
… spectroscopy has been used to detect the vibrational modes of the chromophore and protein that change in position and intensity between rhodopsin and the photoproducts formed at low temperature (70K), bathorhodopsin and isorhodopsin. A method has been developed to obtain infrared …
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Structure, electronic levels, and ionic interactions of 1 nanometer silicon particles
… electronic levels, and ionic interactions. The vibrational modes of several candidate structures of the 1 nm particles are calculated at the Hartree-Fock level, and compared to previously acquired Raman spectra to determine the structure. The vibrational modes are also compared to the …
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Infrared studies of rhodopsin and its low temperature photoproducts, bathorhodopsin and isorhodopsin
… spectroscopy has been used to detect the vibrational modes of the chromophore and protein that change in position and intensity between rhodopsin and the photoproducts formed at low temperature (70K), bathorhodopsin and isorhodopsin. A method has been developed to obtain infrared …
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An investigation into vibrational dynamics in organic semiconductors
This thesis is concerned with study of vibrational dynamics and their effect on charge transport in thin films of organic semiconductors. Two classes of organic semiconductors are investigated- crystalline small molecules and conjugated polymers. Although device performance of both classes of …
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Defects and Rearrangements in Disordered Solids
… to isolate localized defects from extended vibrational modes in disordered solids. This method augments particle interactions with an artificial potential that acts as a high-pass filter: it preserves small-scale structures while pushing extended vibrational modes to higher frequencies. The …
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Effect of applied fields on the optical properties of color centers
… to the broadening of the F band due to the cubic vibrational modes, the non-cubic vibrational modes,\) and the spin-orbit interaction. The data of Margerie and Romestain on the circular dichroism of the F band in CsBr and CsCl are analyzed.. The analysis resolves the discrepancy between their two …
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