منابع مشابه
Vibrational energy relaxation in proteins.
An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cytochrome c is studied by using two theoretical approaches. One approach is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach, which describes the protein as an ensemble of normal modes interacting through nonl...
متن کاملA broadband vibrational energy harvester
We propose a design for an energy harvester which has the potential to harvest vibrational energy over a broad range of ambient frequencies. The device uses two flexible ceramic piezoelectric elements arranged in a buckled configuration in the absence of vibrations. Experimental data show that this design allows enhanced harvesting of energy relative to a comparable cantilever design, both for ...
متن کاملNonperturbative vibrational energy relaxation effects on vibrational line shapes.
A general formulation of nonperturbative quantum dynamics of solutes in a condensed phase is proposed to calculate linear and nonlinear vibrational line shapes. In the weak solute-solvent interaction limit, the temporal absorption profile can be approximately factorized into the population relaxation profile from the off-diagonal coupling and the pure-dephasing profile from the diagonal couplin...
متن کاملVibrational energy transport in the presence of intrasite vibrational energy redistribution.
The mechanism of vibrational energy flow is studied in a regime where a diffusion equation is likely to break down, i.e., on length scales of a few chemical bonds and time scales of a few picoseconds. This situation occurs, for example, during photochemical reactions in protein environment. To that end, a toy model is introduced that on the one hand mimics the vibrational normal mode distributi...
متن کاملOn the Asymmetry of Vibrational Energy Flow
A simple model to predict the directionality of vibrational energy flow at molecular level is presented. This model is based on a vibrational energy propagation analysis using ab intio molecular dynamics and the Fukui function and local softness reactivity indexes derived from DFT. By using this simple conceptual model we are giving a cogent rationale to previous theoretical and experimental re...
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ژورنال
عنوان ژورنال: Nature
سال: 1970
ISSN: 0028-0836,1476-4687
DOI: 10.1038/226050a0