نتایج جستجو برای: molecular force constant

تعداد نتایج: 1008418  

Journal: :TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series C 2011

Journal: :Chemical Physics Letters 2021

Ring polymer molecular dynamics (RPMD) is an accurate method for calculating thermal chemical reaction rates. It has recently been discovered that low-temperature calculations are strongly affected by the simulation parameters. Here, thermally activated DH + H -> D H2, we calculate RPMD rate constants at T = 50, 100, and 300 K demonstrate >= 100 standard input parameters yield results, but low ...

Journal: :International Journal of Modern Physics: Conference Series 2013

Journal: :International Journal of Simulation Modelling 2021

Journal: :Proceedings of the National Academy of Sciences 2003

Journal: :Journal of the Mineralogical Society of Japan 1971

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