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Viegas, Luís P., Varandas, António J.C. (2012) Can water be a catalyst on the HO2+H2O+O3 reactive cluster?. Chemical Physics, 399. 17-22 doi:10.1016/j.chemphys.2011.04.022

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Reference TypeJournal (article/letter/editorial)
TitleCan water be a catalyst on the HO2+H2O+O3 reactive cluster?
JournalChemical Physics
AuthorsViegas, Luís P.Author
Varandas, António J.C.Author
Year2012 (May)Volume399
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.04.022Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5962936Long-form Identifiermindat:1:5:5962936:6
GUID0
Full ReferenceViegas, Luís P., Varandas, António J.C. (2012) Can water be a catalyst on the HO2+H2O+O3 reactive cluster?. Chemical Physics, 399. 17-22 doi:10.1016/j.chemphys.2011.04.022
Plain TextViegas, Luís P., Varandas, António J.C. (2012) Can water be a catalyst on the HO2+H2O+O3 reactive cluster?. Chemical Physics, 399. 17-22 doi:10.1016/j.chemphys.2011.04.022
In(n.d.) Chemical Physics Vol. 399. Elsevier BV

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Viegas, Luís P., Varandas, António J.C. (2016) The HO2 + (H2O)n + O3 reaction: an overview and recent developments. The European Physical Journal D, 70. doi:10.1140/epjd/e2016-60733-5
Viegas, Luís P., Varandas, António J. C. (2012) A detailed test study of barrier heights for the HO2 + H2O + O3 reaction with various forms of multireference perturbation theory. The Journal of Chemical Physics, 136 (11). 114312pp. doi:10.1063/1.3695371
Viegas, Luís P., Varandas, António J. C. (2016) Role of (H2O)n (n = 2–3) Clusters on the HO2 + O3 Reaction: A Theoretical Study. The Journal of Physical Chemistry B, 120 (8). 1560-1568 doi:10.1021/acs.jpcb.5b07691
Viegas, Luís P., Carolina, Diana, Varandas, António J.C. (2015) Mapping the HO3 ground state potential energy surface with DFT: Can we reproduce the MRCI+Q/CBS data?. Chemical Physics Letters, 620. 61-66 doi:10.1016/j.cplett.2014.12.034
Viegas, Luís P., Varandas, António J. C. (2008) Geometric phase effect in the vibrational states of tripletH3+. Physical Review A, 77 (3). doi:10.1103/physreva.77.032505
Viegas, Luís P., Varandas, António J. C. (2014) Coupled‐cluster reaction barriers of : An application of the coupled‐cluster//Kohn–Sham density functional theory model chemistry. Journal of Computational Chemistry, 35 (7). 507-517 doi:10.1002/jcc.23458
Pansini, Fernando N.N., Varandas, António J.C. (2022) On the solvation model and infrared spectroscopy of liquid water. Chemical Physics Letters, 801. 139739 doi:10.1016/j.cplett.2022.139739
Viegas, Luís P., Alijah, Alexander, Varandas, António J. C. (2007) Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+. The Journal of Chemical Physics, 126 (7). 74309pp. doi:10.1063/1.2566770
Varandas, António J.C., Alijah, Alexander, Cernei, Mihail (2005) A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(). Chemical Physics, 308. 285-295 doi:10.1016/j.chemphys.2004.03.023
Adhikari, Satrajit, Varandas, António J.C. (2013) The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates. Computer Physics Communications, 184. 270-283 doi:10.1016/j.cpc.2012.09.001
Varandas, António J.C. (1974) On the calculation of the relativistic long-range coefficient W4. Chemical Physics Letters, 27. 433-435 doi:10.1016/0009-2614(74)90258-9
 
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