Výsledky vyhledávání - "Y V, Suleimanov"

New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(

Autor: M, Menéndez, P G, Jambrina, A, Zanchet, E, Verdasco, Y V, Suleimanov, F J, Aoiz

Publikováno v: The journal of physical chemistry. A. 123(37)

In the past decade, ring polymer molecular dynamics (RPMD) has emerged as a very efficient method to determine thermal rate coefficients for a great variety of chemical reactions. This work presents the application of this methodology to study the O(

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::e33d624738bb31182e23e6964e08b9a4
https://pubmed.ncbi.nlm.nih.gov/31461272

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A ring polymer molecular dynamics study of the OH + H

Autor: J F, Castillo, Y V, Suleimanov

Publikováno v: Physical chemistry chemical physics : PCCP. 19(43)

In this work we have performed a ring polymer molecular dynamics (RPMD) study of the OH + H

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::a9792d8f2cac4ab5e19570838cad5a51
https://pubmed.ncbi.nlm.nih.gov/29067371

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