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(1982)Laser induced fluorescence excitation spectra of the series glyoxalh(,2), methylglyoxalh(,4), methylglyoxald(,4), biacetylh(,6), and 2,3pentanedioneh(,8) at high resolution show that except for glyoxal these molecules ...
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(2005)The forwardbackward semiclassical dynamics (FBSD) approximation provides a rigorous and practically useful methodology for simulating the dynamics of condensed phase systems that exhibit quantum mechanical effects. It is ...
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(2009)A more direct calculation using the pairproduct approximation to the propagator is also discussed. Using singlestep approximations to the propagator, it is shown that realtime correlation functions can be expressed as ...
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The Quantum Mechanical Hamiltonian of RotatingVibrating Polyatomic Molecules and an Exact Solution (1982)An exact quantum mechanical vibrationrotation Hamiltonian for an arbitrary polyatomic molecule is obtained using wellestablished techniques of differential geometry. The difficulties and the ambiguities in the traditional ...
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(1990)A series of timeindependent scattering calculations were done on the helium and siliconmonoxide (B =.0901 meV) system in its ground electronic state using the rigid rotor approximation. Close Coupling results were compared ...
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(1995)Quantum Monte Carlo has been established as a powerful computational tool to study quantum manybody systems. It has been successfully applied to small atoms and molecules, the electron gas, hydrogen at high pressures, ...
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(2002)The quantum excitations in glasses have long presented a set of puzzles for condensed matter scientists. A common view is that they are largely disordered analogs of elementary excitations in crystals, supplemented by two ...
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Radiocarbon Compounds Produced by Slow Neutron Irradiation of AmmoniumChloride and AmmoniumBromide (1954)
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(1991)The design and construction of a radiotracer instrument which allows the quantitative measurement of a radiolabeled adsorbate on atomically smooth electrodes for the first time is described. Using this instrument, the ...
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Raman and Nmr Studies of the Effects of Density and Temperature on the Molecular Dynamics in Fluids (1975)
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(1989)This work is an experimental study of the Raman noncoincidence effect which is the difference between the band centers of the isotropic and the anisotropic spectra. We have studied the C=O symmetric stretching mode of ...
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(1980)This work reports measurements of the Raman spectra of the SiCH(,3) and CH stretching modes of tetramethylsilane, the CH stretching mode of fluoroform, and the C = O stretching mode of acetone. All spectra were measured ...
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(1996)Molecular dynamics studies is aimed at achieving a molecular level understanding of the macroscopic transport properties of fluids. Raman light scattering technique in combination with high pressure and temperature control ...
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Raman Studies of Relaxation Mechanisms in Dense Fluids: HydrogenBonded and NonInteracting Systems (1978)
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(1981)Raman spectroscopy can provide much information about the relaxation processes in dense fluids. This thesis consists of studies of the reorientational relaxation in tetrafluoromethane and propyne, and of the vibrational ...
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(1990)The problem of protein dynamics is introduced and its significance explained. Properties of the oxygenstorage protein myoglobin (Mb) as a model system for dynamics studies are discussed. Special attention is paid to Mb's ...
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Now showing items 419438 of 581