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Castillo, J. F., Suleimanov, Y. V. (2017) A ring polymer molecular dynamics study of the OH + H2(D2) reaction. Physical Chemistry Chemical Physics, 19 (43). 29170-29176 doi:10.1039/c7cp05266a

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Reference TypeJournal (article/letter/editorial)
TitleA ring polymer molecular dynamics study of the OH + H2(D2) reaction
JournalPhysical Chemistry Chemical Physics
AuthorsCastillo, J. F.Author
Suleimanov, Y. V.Author
Year2017Volume19
Issue43
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c7cp05266aSearch in ResearchGate
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Mindat Ref. ID4031831Long-form Identifiermindat:1:5:4031831:6
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Full ReferenceCastillo, J. F., Suleimanov, Y. V. (2017) A ring polymer molecular dynamics study of the OH + H2(D2) reaction. Physical Chemistry Chemical Physics, 19 (43). 29170-29176 doi:10.1039/c7cp05266a
Plain TextCastillo, J. F., Suleimanov, Y. V. (2017) A ring polymer molecular dynamics study of the OH + H2(D2) reaction. Physical Chemistry Chemical Physics, 19 (43). 29170-29176 doi:10.1039/c7cp05266a
In(2017) Physical Chemistry Chemical Physics Vol. 19 (43) Royal Society of Chemistry (RSC)

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de Tudela, R. Pérez, Suleimanov, Y. V., Menéndez, M., Castillo, J. F., Aoiz, F. J. (2014) A ring polymer molecular dynamics study of the Cl + O3 reaction. Physical Chemistry Chemical Physics, 16 (7). 2920pp. doi:10.1039/c3cp54405b
Suleimanov, Yury V., de Tudela, Ricardo Pérez, Jambrina, Pablo G., Castillo, Jesús F., Sáez-Rábanos, Vicente, Manolopoulos, David E., Aoiz, F. Javier (2013) A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction. Physical Chemistry Chemical Physics, 15 (10). 3655pp. doi:10.1039/c2cp44364c
Bhowmick, Somnath, Bossion, Duncan, Scribano, Yohann, Suleimanov, Yury V. (2018) The low temperature D+ + H2 → HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study. Physical Chemistry Chemical Physics, 20 (41). 26752-26763 doi:10.1039/c8cp05398g
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Pérez de Tudela, Ricardo, Aoiz, F. J., Suleimanov, Yury V., Manolopoulos, David E. (2012) Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + H. The Journal of Physical Chemistry Letters, 3 (4). 493-497 doi:10.1021/jz201702q
Suleimanov, Yury V., Aguado, Alfredo, Gómez-Carrasco, Susana, Roncero, Octavio (2018) A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3+ → H3+ + H2 Reaction. The Journal of Physical Chemistry Letters, 9 (9). 2133-2137 doi:10.1021/acs.jpclett.8b00783
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Liu, Yang, Song, Hongwei, Li, Jun (2020) Kinetic study of the OH + HO2 → H2O + O2 reaction using ring polymer molecular dynamics and quantum dynamics. Physical Chemistry Chemical Physics, 22 (41) 23657-23664 doi:10.1039/d0cp04120c
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