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Your search keyword '"Suleimanov, Yury V."' showing total 4 results

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1. Quantum rate coefficients and kinetic isotope effect for the reaction Cl + CH4 → HCl + CH3 from ring polymer molecular dynamics.

2. Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?

3. Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(¹D), S(¹D)).

4. Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O.

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