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** Condensed phase nonadiabatic dynamics **

** Condensed phase solvent dynamic effect **

** Condensed phases vibrational dynamics **

** Dynamics in the condensed phase **

In condensed-phase dynamics, we are typically interested in the detailed behavior of just a small part of a large system, so we partition the total system into the subsystem of interest, s, and a surrounding bath, b. The total Hamiltonian is then written [Pg.81]

However, Eq. (4.1) has another advantage in that it directly connects to the system-bath models used in condensed phase dynamics [38]. Here the reactive coordinates and the substrate modes comprise the relevant system and the bath, respectively. Larger molecules may provide their own bath and Eq. (4.1) can be used to calculate an ah initio system-bath Hamiltonian and microscopic relaxation and dephasing rates [33]. [Pg.82]

Smith, N. A. Meech, S. R (2002). Optically-heterodyne-detected optical Kerr effect (OHD-OKE) applications in condensed phase dynamics. International Reviews in Physical Chemistry, 21,75-100 [Pg.223]

Using photoelectron detection in a femtochemistry arrangement, we studied size-selected clusters of ionic systems, covering the transition from gas phase to condensed phase dynamics [6]. We investigated the solvent effect on Oj dissociation dynamics, and observed [Pg.11]

Using photoelectron detection in a femtochemistry arrangement, we studied size-selected clusters of ionic systems, covering the transition from gas phase to condensed phase dynamics [6]. We investigated the solvent effect on Oj dissociation dynamics, and observed that the addition of one solvent (O2, N2, Xe or N2O) gives very different effects on the dynamics of the nuclear motion, whose wave packet bifurcates in two channels. These real time studies of the one-solvent dynamics provide the time scale of the distinctive processes of electron recombination and bond rupture, and vibrational predissociation— with both [Pg.10]

In practice these experiments are very difficult and expensive, and have typically been applied to systems such as liquid benzene (33). On the encouraging side, it should be noted that these techniques are indeed applicable to condensed-phase systems and are extremely informative concerning fundamental condensed-phase dynamics. [Pg.470]

This work was supported in part at both Pacific Northwest National Laboratory (PNNL) and the University of Minnesota (UM) by the Division of Chemical Sciences, Office of Basic Energy Sciences, U. S. Department of Energy (DOE), and it was supported in part (condensed-phase dynamics) at the University of Minnesota by the National Science foundation. Battelle operates PNNL for DOE. [Pg.871]

With the wealth of infonnation contained in such two-dimensional data sets and with the continued improvements in technology, the Raman echo and quasi-echo techniques will be the basis for much activity and will undoubtedly provide very exciting new insights into condensed phase dynamics in simple molecular materials to systems of biological interest. [Pg.1213]

The theoretical foundation for reaction dynamics is quantum mechanics and statistical mechanics. In addition, in the description of nuclear motion, concepts from classical mechanics play an important role. A few results of molecular quantum mechanics and statistical mechanics are summarized in the next two sections. In the second part of the book, we will return to concepts and results of particular relevance to condensed-phase dynamics. [Pg.5]

** Condensed phase nonadiabatic dynamics **

** Condensed phase solvent dynamic effect **

** Condensed phases vibrational dynamics **

** Dynamics in the condensed phase **

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