相关论文: Transition states and entangled mass action law

A connection between the response and fluctuation in general nonequilibrium stationary states is investigated. We focus on time-symmetric quantities and find that the fluctuation of a kind of empirical measure can be expressed with the…

Chemical equilibrium is fully characterized by thermodynamics, while the rates of chemical reactions can be calculated for ideal solutions by using mass-action equations. The evaluation of the rates of reactions in a non-ideal system is…

Non-Maxwellian distributions are commonly observed across a wide range of systems and scales. While direct observations provide the strongest evidence for these distributions, they also manifest indirectly through their influence on…

We study, from a purely quantitative point of view, the quasi-steady-state assumption for the fundamental mathematical model of the general enzymatic reaction: we re-establish, on a rigorous basis, certain already known results and we…

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

We describe and analyse numerically schemes (i) for entangling orthogonal motional modes of one or a few harmonically-trapped atoms or ions, and (ii) for transferring the entanglement from one of these local modes to a distant trapped atom…

The study of chemical reactions in environments under nonequilibrium conditions has been of interest recently in a variety of contexts, including current-induced reactions in molecular junctions and scanning tunneling microscopy…

We present an efficient method to compute transition rates between states for a two-state system. The method utilizes the equivalence between steady-state flux and mean first passage rate for such systems. More specifically, the procedure…

Systems out of equilibrium, in stationary as well as in nonstationary regimes, display a linear response to energy impulses simply expressed as the sum of two specific temporal correlation functions. There is a natural interpretation of…

As contrast to the Maxwellian distribution, equilibrium distribution of the second kind or turbulent equilibrium is shown to exist under tertiary molecular chaos hypothesis to replace the classical binary chaos by Boltzmann. It is expressed…

Thermal escape out of a metastable well is considered in the weak friction regime, where the bottleneck for decay is energy diffusion, and at lower temperatures, where quantum tunneling becomes relevant. Within a systematic semiclassical…

The analysis of the time evolution of unstable states which are linear superposition of other, observable, states can, in principle, be carried out in two distinct, non-equivalent ways. One of the methods, usually employed for the neutral…

We extend the recently proposed mechanism for inducing low energy nuclear reactions (LENRs) to a crystal lattice. The process gets a dominant contribution at second order in quantum perturbation theory. The tunnelling barrier is evaded due…

The decay of quantum complex systems through a potential barrier is often described with transition-state theory, also known as RRKM theory in chemistry. Here we derive the basic formula for transition-state theory based on a generic…

Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…

This study address the computational determination of catalytic reaction rates by moving beyond traditional Transition State Theory (TST), addressing its limitations in complex systems. The Hill relation framework, integrated with Adaptive…

Tunneling of a quasibound state is a non-smooth process in the entangled many-body case. Using time-evolving block decimation, we show that repulsive (attractive) interactions speed up (slow down) tunneling, which occurs in bursts. While…

When a chemical reaction is driven by an external field, the transition state that the system must pass through as it changes from reactant to product -for example, an energy barrier- becomes time-dependent. We show that for periodic…

Adding transitions to an equilibrium system increases the activity. Naively, one would expect this to hold also in out of equilibrium systems. This surprising effect is caused by adding heretofore forbidden transitions into less and less…

Transition State Theory forms the basis of computing reaction rates in chemical and other systems. Recently it has been shown how transition state theory can rigorously be realized in phase space using an explicit algorithm. The…