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There are two mathematical approaches in describing one chemical reaction: the deterministic approach, which considers the reaction as a continuous and predictable process governed by a set of coupled ordinary differential equations, and the stochastic approach, which considers the reaction as a random-walk process governed by a single differential equation. Gillespie, D. T. J. Phys. Chem. 1977, 81, 2340-2361.
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(a) There are two mathematical approaches in describing one chemical reaction: the deterministic approach, which considers the reaction as a continuous and predictable process governed by a set of coupled ordinary differential equations, and the stochastic approach, which considers the reaction as a random-walk process governed by a single differential equation. Gillespie, D. T. J. Phys. Chem. 1977, 81, 2340-2361.
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In the stochastic approach, a reaction can be numerically simulated using the Monte Carlo procedure without approximating infinitesimal time increments by finite time steps. Because of this, the stochastic approach has a firmer physical basis than the deterministic approach. From a practical numerical point, the stochastic rate constant and the deterministic rate constant differ by only two simple constant factors. Gillespie, D. T. J. Phys. Chem. 1977, 81, 2340-2361
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(b) In the stochastic approach, a reaction can be numerically simulated using the Monte Carlo procedure without approximating infinitesimal time increments by finite time steps. Because of this, the stochastic approach has a firmer physical basis than the deterministic approach. From a practical numerical point, the stochastic rate constant and the deterministic rate constant differ by only two simple constant factors. Gillespie, D. T. J. Phys. Chem. 1977, 81, 2340-2361.
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We use the stochastic approach, and thus, the rate constants are stochastic rate constants in this work
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(c) We use the stochastic approach, and thus, the rate constants are stochastic rate constants in this work.
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