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Year Number of Results
2006 1
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2009 5
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Page 1
Time-Dependent Quantum Wave Packet Study of the Si + OH → SiO + H Reaction: Cross Sections and Rate Constants.
Rivero Santamaría A, Dayou F, Rubayo-Soneira J, Monnerville M. Rivero Santamaría A, et al. J Phys Chem A. 2017 Mar 2;121(8):1675-1685. doi: 10.1021/acs.jpca.7b00174. Epub 2017 Feb 15. J Phys Chem A. 2017. PMID: 28171718
The dynamics of the Si((3)P) + OH(X(2)pi) SiO(X(1)sigma(+)) + H((2)S) reaction is investigated by means of the time-dependent wave packet (TDWP) approach using an ab initio potential energy surface recently developed by Dayou et al. ( J. Chem. Phys. 2013 , 139 , 204305 ) f …
The dynamics of the Si((3)P) + OH(X(2)pi) SiO(X(1)sigma(+)) + H((2)S) reaction is investigated by means of the time-dependent wave packet (T …
The O((1)D) + H2 (X (1)sigma+, v, j) OH(X (2)pi, v', j') + H((2)S) reaction at low collision energy: when a simple statistical description of the dynamics works.
Rivero-Santamaría A, González-Martínez ML, González-Lezana T, Rubayo-Soneira J, Bonnet L, Larrégaray P. Rivero-Santamaría A, et al. Phys Chem Chem Phys. 2011 May 14;13(18):8136-9. doi: 10.1039/c0cp02662j. Epub 2011 Mar 24. Phys Chem Chem Phys. 2011. PMID: 21437306
Results are compared with experiment and recent precise quantum wave packet calculations [J. Phys. Chem. A, 2009, 113, 5285]....
Results are compared with experiment and recent precise quantum wave packet calculations [J. Phys. Chem. A, 2009, 113, 5285]....
Quasi-classical trajectories study of Ne79Br2(B) vibrational predissociation.
González-Martínez ML, Rubayo-Soneira J, Janda K. González-Martínez ML, et al. Phys Chem Chem Phys. 2006 Oct 21;8(39):4550-8. doi: 10.1039/b605585k. Epub 2006 Sep 13. Phys Chem Chem Phys. 2006. PMID: 17047752
Predicted lifetimes are in excellent agreement with the last experimental results [J. A. Cabrera, C. R. Bieler, B. C. Olbricht, W. E. van der Veer and K. C. Janda, J. Chem. Phys., 2005, 123, 054311]. The Br2 fragment ro-vibrational distributions resulting from the V …
Predicted lifetimes are in excellent agreement with the last experimental results [J. A. Cabrera, C. R. Bieler, B. C. Olbricht, W. E. …
Quasi-classical trajectories study of Ne2Br2(B) vibrational predissociation: kinetics and product distributions.
Arbelo-González W, González-Martínez ML, Reed SK, Rubayo-Soneira J, Shalashilin DV. Arbelo-González W, et al. J Chem Phys. 2012 Apr 14;136(14):144303. doi: 10.1063/1.3700156. J Chem Phys. 2012. PMID: 22502514
Extensive comparison is made with the most recent experimental observations [Pio et al., J. Chem. Phys. 133, 014305 (2010)], molecular dynamics with quantum transitions simulations [Miguel et al., Faraday Discuss. 118, 257 (2001)], and preliminary results from 24-dimension …
Extensive comparison is made with the most recent experimental observations [Pio et al., J. Chem. Phys. 133, 014305 (2010)], molecula …
22 results