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Dynamical vibrations

Rector K D, Rella C W, Hill J R, Kwok A S, Sligar S G, Chien E Y T, DIott D D and Fayer M D 1997 Mutant and wild-type myoglobin-CO protein dynamics vibrational echo experiments J. Phys. Chem. [Pg.2001]

So far, one can be much more successful in calculating a rate constant when one knows in advance that it exists, than in answering the question of whether it exists. A considerable breakthrough in this area was the solution of the spin-boson problem, which, however, has only limited relevance to any problem in chemistry because it neglects the effects of intrawell dynamics (vibrational relaxation) and does not describe thermally activated transitions. A number of attempts have been made to go beyond the two-level system approximation, but the basic question of how vibrational relaxation affects the transition from coherent oscillations to exponential decay awaits a quantitative solution. Such a solution might be obtained by numerical computation of real-time path integrals for the density matrix using the influence functional technique. [Pg.338]

Z. Ma and D.F. Coker. Quantum initial condition sampling for linearized density matrix dynamics Vibrational pure dephasing of iodine in krypton matrices. J. Chem. Phys., 128 244108, 2008. [Pg.436]

The effects of intramolecular dynamics (vibration and rotation) on nuclear shielding have been observed as temperature dependence of resonance... [Pg.150]

Di Pace, A., Cupane, A., Leone, M., and Vitrano, E. and Di Pace A Cupane A Leone M Vitrano E Cordone, L. (1992) Protein dynamics. Vibrational coupling, spectral broadening mechanisms, and anharmonicity effects in carbonmonoxy heme proteins studied by the temperature dependence of the Soret band lineshape Biophys. J. 63, 475-484. [Pg.196]

In accordance with Placzek s theory (1934) we can write the real part of the complex transition polarizability as the dynamic vibrational polarizability operator (which is a function of a static configuration Q of nuclei) acting on the vibrational state functions and... [Pg.567]

Since the development of ultrashort lasers, nudear wavepacket dynamics of various matters have attracted continuing attention [1,2]. The research targets extend from gas phase molecules [3, 4] to molecules in solution [5, 6], and solids [7]. In general, an excitation of matter by an ultrashort pulse with sufficient bandwidth leads to the creation of coherence between vibrational (or vibronic) eigenstates [1]. The induced nuclear wavepacket then starts to evolve on a certain potential energy surface and the dynamics is probed by a suitable pump-probe spectroscopy. The direct time-domain observation of the nudear motion provides us with valuable information on photochemical reaction dynamics, vibrational excitation/relaxation mechanisms, electron-vibration (phonon) coupling, and so on. [Pg.55]

Kirtman et al.149 show how low frequency collective modes contribute to the dynamic vibrational hyperpolarizabilities of different linear chains (polyacetylene, polyyne, polyethylene and polysilane). In another work Champagne et al.150 have calculated the static vibrational yvL/N of polyacetylene and they have found it to be 30% larger than the electronic contribution, while in the case of polyyne yj[/yL is 0.92151 at the extrapolated infinite chain length. For polydiacetylene and polybutatriene both the static electronic and the vibrational contributions to a /N and ctvL/N, and yl/N and yj JN, respectively, were computed. Also in these cases for both chains the vibrational contributions are of the same order as the electronic ones. One should mention, however, that in these cases the yL/N values extrapolated to infinity are about 10% larger than the values obtained for seven or ten units, respectively, in the two chains. Finally for d -trans polysilane154 the static y /N and yvL/N and values were also calculated. Their values have been found also to be of comparable magnitude. [Pg.496]

Rector KD, ReUa CW, HiU JR, Kwok AS, Shgar SG, Chien E YT, Dlott DD, Payer MD. 1997. Mutant and wild-type myoglobin-CO protein dynamics Vibrational echo experiments. J. Phys. Chem. B 101 1468-1475. [Pg.269]

In terms of conclusions, rubber powder recovered from old tires is recognized as a valuable raw material that may be processed into useful products. Reference [33] exhibits the static and dynamic vibration properties of visco-elastic rubber materials, as well as their mechanical properties. At the optimum curing conditions (180 C, 10 min, 10 M Pa), the effect of sulfur and plasticizer on the vibration properties of the material are of interest. It is thus possible to prepare a material suitable for use in antivibration mountings, by choosing the right values of sulfur and plasticizer, according to the vibration characteristics of the machine (i.e., its mass and natural undamped resonant frequency). [Pg.188]

Alternative valve operability testing, such as dynamic vibration testing, will be used if it is shown to assure the functional ability of the valve system adequately. These alternate methods, if used, will be completely described in the FSAR. [Pg.209]

Fig. 3 The outline of fast dynamic processes the rate of the polymer chain dynamics (vibrational motion and relaxation) strongly overlaps that of electronic relaxation and can be studied by the time-resolved fluorescence... Fig. 3 The outline of fast dynamic processes the rate of the polymer chain dynamics (vibrational motion and relaxation) strongly overlaps that of electronic relaxation and can be studied by the time-resolved fluorescence...
While one of the most critical factors that determines the performance of a servo system is the closed-loop bandwidth (Skogestad and Postlethwaite 2005) (i.e., active frequency range, within which disturbance inputs are successfully rejected and reference inputs are accurately followed), there are also important limitations that determine the achievable bandwidth in a servo system arising typically from the dynamics of the plant and controller such as unstable zeros and delays, umnodeled dynamics, vibration modes, actuator saturations, and... [Pg.1114]

Structural plant problems (strength against fluid dynamic vibrations of internal origin, against earthquakes, against aircraft impact, etc.). [Pg.199]

Restriction of intramolecular Dynamic vibration vibration (RIV) in solution Non-emissive... [Pg.163]

Dynamic vibration absorbers are widely used for mitigating adverse vibration in mechanical system such as machinery and tall buildings because they are simple, durable, and inexpensive. They do not require sensors or controllers and yet they behave as automatically adaptable devices. Recently, a new the-... [Pg.443]

Conventional dynamic vibration absorbers are composed of a mass, spring, and damper. Although dynamic vibration absorbers do not have sensors or controllers, they can provide vibration mitigation similar to that of actively controlled systems with a complicated sensor, control, and actuator system. Since an absorbers mass/spring/damper forms a single degree of freedom (DOF) vibration system, it consequently has a single resonant frequency and can exhibit an amplified response at this frequency. Dynamic absorbers behave similar to a system with a sensor to detect the specific frequency and a controller to amplify the vibration. Therefore, the absorbers natural frequency should be carefully tuned to a specific frequency for which the vibration amplitude of the host structure is to be reduced. The tuned frequency usually corresponds to natural modes and harmonically excited vibrations of a system. [Pg.444]

Ropeways are commonly used for skiing and sightseeing venues and urban transportation. The swing of ropeway carriers is easily induced by wind loading, rendering them inoperable for wind speeds in excess of about 15 m/s. This problem has attracted much research attention in the past few decades. The research work has primarily focused on two methods to reduce swing that involve a dynamic vibration absorber and a gyroscope. [Pg.446]

Proton Transfer Solvation Dynamics Electron Transfer Friction Dynamics Vibrational Relaxation Polarization (Kerr)... [Pg.9]


See other pages where Dynamical vibrations is mentioned: [Pg.548]    [Pg.133]    [Pg.725]    [Pg.234]    [Pg.142]    [Pg.39]    [Pg.169]    [Pg.246]    [Pg.84]    [Pg.285]    [Pg.36]    [Pg.178]    [Pg.301]    [Pg.499]    [Pg.27]    [Pg.159]    [Pg.106]    [Pg.26]    [Pg.223]    [Pg.474]    [Pg.310]    [Pg.444]    [Pg.446]    [Pg.456]    [Pg.466]    [Pg.217]   
See also in sourсe #XX -- [ Pg.217 ]




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Vibrational dynamics

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