نتایج جستجو برای: transition state theory
تعداد نتایج: 1746799 فیلتر نتایج به سال:
In this paper, we present a general concept of state transition diagrams well-suited for various modeling purposes. Our notation is tailored for the description of asynchronous time-independent agents. We start by proposing a graphical and textual syntax, and deene an abstract syntax for both notations. The semantics of state transition diagrams deened by translating the abstract syntax into ti...
The abstraction and addition reactions of H with trans-N(2)H(2) are studied by high-level ab initio methods and density functional theory. Rate constants were calculated for these two reactions by multistructural variational transition state theory with multidimensional tunneling and including torsional anharmonicity by the multistructural torsion method. Rate constants of the abstraction react...
In this short paper, new properties of transition matrix were introduced. Eigen values for small order transition matrices are calculated in flexible method. For benefit of these properties applications of these properties were studied in the solution of Markov's chain via steady state vector, and information theory via channel entropy. The implemented test examples were promised for usages. Ke...
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