نتایج جستجو برای: transition state theory
تعداد نتایج: 1746799 فیلتر نتایج به سال:
multi agent markov decision processes (mmdps), as the generalization of markov decision processes to the multi agent case, have long been used for modeling multi agent system and are used as a suitable framework for multi agent reinforcement learning. in this paper, a generalized learning automata based algorithm for finding optimal policies in mmdp is proposed. in the proposed algorithm, mmdp ...
despite wide-range of studies in the theories of the entrepreneurship field, few studies have offered a pervasive conceptual model or a general consensus of the existing theories. hence, this paper attempts to extend a comprehensive principle on entrepreneurship. in general, there are two common interpretations of the term ‘entrepreneurship’. one of the common views is schumpeterian, emphasizin...
Communication: κ-dynamics--an exact method for accelerating rare event classical molecular dynamics.
κ-dynamics is an accelerated molecular dynamics method for systems with slow transitions between stable states. Short trajectories are integrated from a transition state separating a reactant state from products. The first trajectory found that leads directly to a product without recrossing the transition state and starts in the reactant state is followed. The transition time is drawn from a di...
A three-body model is devised to study differential and total cross sections for the excitation of helium atom under impact of energetic protons. The actual process is a four body one but in the present model the process is simplified into a three-body one. In this model, an electron of helium atom is assumed to be inactive and only one electron of the atom is active. Therefore, the active ele...
Stochastic dynamics of chemical reactions in a mutually repressing two-gene circuit is numerically simulated. The circuit has a rich variety of different states when the kinetic change of DNA status is slow. The stochastic switching transition between those states are compared with the theoretical estimation of the switching rate derived from the idea similar to the transition state theory. Eve...
The crossing of a transition state in a multidimensional reactive system is mediated by invariant geometric objects in phase space: An invariant hyper-sphere that represents the transition state itself and invariant hyper-cylinders that channel the system towards and away from the transition state. The existence of these structures can only be guaranteed if the invariant hyper-sphere is normall...
Liying Wang, Xujie Jia and Jie Zhang Department of Mathematics & Physics, Shijiazhuang Tiedao University, Shijiazhuang, China School of Science, Minzu University of China, Beijing, China The 54 Research Institute of China Electronics Technology Group Corporation, Shijiazhuang, China (Received March 2012, accepted November 2012) ___________________________________________________________________...
Thermal rearrangement of 7,7-dichloro-[a,c]-dibenzo-[4,1,0]-bicycloheptane (1) to 5,6-dichloro-5Hdibenzo-[a,c]-cycloheptene (2) was studied in the solid phase and in solvents with different polarities. Thefirst-order constants at various temperatures for the rearrangement process were evaluated from theabsorption time data. The activation parameters for this rearrangement were obtained from the...
All chemical transformations pass through an unstable structure called the transition state, which is poised between the chemical structures of the substrates and products. The transition states for chemical reactions are proposed to have lifetimes near 10(-13) sec, the time for a single bond vibration. No physical or spectroscopic method is available to directly observe the structure of the tr...
We study the hot electroweak phase transition (EWPT) by 4-dimensional lattice simulations on lattices with symmetric and asymmetric lattice spacings and give the phase diagram. A continuum extrapolation is done. We find first order phase transition for Higgs-boson masses m H < 66.5 ± 1.4 GeV. Above this end point a rapid cross-over occurs. Our result agrees with that of the dimensional reductio...
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