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Year Number of Results
2006 1
2007 2
2009 5
2010 1
2011 5
2012 3
2013 1
2014 1
2016 1
2017 1
2020 1
2022 0
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Page 1
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. …
A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations.
Márquez-Mijares M, Pérez de Tudela R, González-Lezana T, Roncero O, Miret-Artés S, Delgado-Barrio G, Villarreal P, Baccarelli I, Gianturco FA, Rubayo-Soneira J. Márquez-Mijares M, et al. J Chem Phys. 2009 Apr 21;130(15):154301. doi: 10.1063/1.3115100. J Chem Phys. 2009. PMID: 19388740
The good agreement observed between the energy levels obtained with both procedures for high values of the total angular momentum (J=15 and 20) reveals the quality of the DGF method to describe the rotation of the title system. ...A detailed analysis of density probability …
The good agreement observed between the energy levels obtained with both procedures for high values of the total angular momentum (J= …
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 …
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