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Aguilera-Iparraguirre, Jorge, Daniel Boese, A., Klopper, Wim, Ruscic, Branko (2008) Accurate ab initio computation of thermochemical data for C3Hx species. Chemical Physics, 346. 56-68 doi:10.1016/j.chemphys.2008.01.057

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Reference TypeJournal (article/letter/editorial)
TitleAccurate ab initio computation of thermochemical data for C3Hx species
JournalChemical Physics
AuthorsAguilera-Iparraguirre, JorgeAuthor
Daniel Boese, A.Author
Klopper, WimAuthor
Ruscic, BrankoAuthor
Year2008 (May)Volume346
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.01.057Search in ResearchGate
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Mindat Ref. ID5961516Long-form Identifiermindat:1:5:5961516:9
GUID0
Full ReferenceAguilera-Iparraguirre, Jorge, Daniel Boese, A., Klopper, Wim, Ruscic, Branko (2008) Accurate ab initio computation of thermochemical data for C3Hx species. Chemical Physics, 346. 56-68 doi:10.1016/j.chemphys.2008.01.057
Plain TextAguilera-Iparraguirre, Jorge, Daniel Boese, A., Klopper, Wim, Ruscic, Branko (2008) Accurate ab initio computation of thermochemical data for C3Hx species. Chemical Physics, 346. 56-68 doi:10.1016/j.chemphys.2008.01.057
In(n.d.) Chemical Physics Vol. 346. Elsevier BV

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Aguilera-Iparraguirre, Jorge, Curran, Henry J., Klopper, Wim, Simmie, John M. (2008) Accurate Benchmark Calculation of the Reaction Barrier Height for Hydrogen Abstraction by the Hydroperoxyl Radical from Methane. Implications for CnH2n+2wheren= 2 → 4. The Journal of Physical Chemistry A, 112 (30). 7047-7054 doi:10.1021/jp8012464
Dürrstein, Steffen H., Olzmann, Matthias, Aguilera-Iparraguirre, Jorge, Barthel, Robert, Klopper, Wim (2011) The phenyl+phenyl reaction as pathway to benzynes: An experimental and theoretical study. Chemical Physics Letters, 513. 20-26 doi:10.1016/j.cplett.2011.07.050
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Klippenstein, Stephen J., Harding, Lawrence B., Ruscic, Branko (2017) Ab Initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species. The Journal of Physical Chemistry A, 121 (35). 6580-6602 doi:10.1021/acs.jpca.7b05945
Harding, Michael E., Vázquez, Juana, Ruscic, Branko, Wilson, Angela K., Gauss, Jürgen, Stanton, John F. (2008) High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview. The Journal of Chemical Physics, 128 (11). 114111pp. doi:10.1063/1.2835612
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