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Partial path transition interface

Free energy profiles can also be evaluated within the partial path transition interface sampling method (PPTIS), a path sampling technique designed for the calculation of reaction rate constant in systems with diffusive barrier-crossing events [31,32], In this approach, the reaction rate is expressed in terms of transitions probabilities between a series of nonintersecting interfaces located between regions. c/ and... [Pg.264]

PPTIS Partial path transition interface sampling... [Pg.168]

Transition Interface Sampling and Partial Path Sampling.380... [Pg.350]

Figure 8 Diagram of thin film structure and time dependent thicknesses as shock transits sample firom right to left. Shock velocity is Usand Al interface velocity is Up. Arrows indicate path of light partially reflected off interfaces, leading to thin film interference. Figure 8 Diagram of thin film structure and time dependent thicknesses as shock transits sample firom right to left. Shock velocity is Usand Al interface velocity is Up. Arrows indicate path of light partially reflected off interfaces, leading to thin film interference.
See other pages where Partial path transition interface is mentioned: [Pg.380]    [Pg.382]    [Pg.403]    [Pg.380]    [Pg.382]    [Pg.403]    [Pg.209]    [Pg.56]    [Pg.147]    [Pg.235]   


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Partial path transition interface sampling

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