Over the last years, a new geometrical perspective on transition state theory has been developed that provides a deeper insight on the reaction mechanisms of chemical systems. This new methodology is based on the identification of the invariant structures that organize the dynamics at the top of the energetic barrier that separates reactants and products. Moreover, it has allowed to solve, or at least circumvent, the recrossing-free problem in rate calculations. In this paper, we will discuss which kind of objects determine the reaction dynamics in the presence of dilute, dense and condensed phase baths
The accuracy of rate constants calculated using transition state theory depends crucially on the cor...
In this thesis we study two phenomena occurring in models of chemical reactions. We investigate the ...
In this thesis we study two phenomena occurring in models of chemical reactions. We investigate the ...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
The following article appeared in Journal of Chemical Physics 136.22 (2012): 224510 and may be foun...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
Reaction rates across time-dependent barriers are difficult to define and difficult to obtain using ...
Reaction rates of chemical reactions under nonequilibrium conditions can be determined through the c...
The accuracy of rate constants calculated using transition state theory depends crucially on the cor...
The accuracy of rate constants calculated using transition state theory depends crucially on the cor...
The following article appeared in Journal of Chemical Physics 136.9 (2012): 091102 and may be found ...
The accuracy of rate constants calculated using transition state theory depends crucially on the cor...
In this thesis we study two phenomena occurring in models of chemical reactions. We investigate the ...
In this thesis we study two phenomena occurring in models of chemical reactions. We investigate the ...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
The following article appeared in Journal of Chemical Physics 136.22 (2012): 224510 and may be foun...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ing...
Reaction rates across time-dependent barriers are difficult to define and difficult to obtain using ...
Reaction rates of chemical reactions under nonequilibrium conditions can be determined through the c...
The accuracy of rate constants calculated using transition state theory depends crucially on the cor...
The accuracy of rate constants calculated using transition state theory depends crucially on the cor...
The following article appeared in Journal of Chemical Physics 136.9 (2012): 091102 and may be found ...
The accuracy of rate constants calculated using transition state theory depends crucially on the cor...
In this thesis we study two phenomena occurring in models of chemical reactions. We investigate the ...
In this thesis we study two phenomena occurring in models of chemical reactions. We investigate the ...