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Jorge Aguilera-Iparraguirre

Massachusetts Institute of Technology

12

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Composition de matière destinée à être utilisée dans des diodes électroluminescentes organiques

2018
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Automatic chemical design using a data-driven continuous representation of molecules

2016 arXiv: Learning
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Reaction of Phenyl Radical with Propylene as a Possible Source of Indene and Other Polycyclic Aromatic Hydrocarbons: An Ab Initio/RRKM-ME Study

2012 Journal of Physical Chemistry A
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Crossed beam reaction of phenyl and D5-phenyl radicals with propene and deuterated counterparts—competing atomic hydrogen and methyl loss pathways

2012 Physical Chemistry Chemical Physics
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Detailed chemical kinetic modeling of JP‐10 (exo‐tetrahydrodicyclopentadiene) high‐temperature oxidation: Exploring the role of biradical species in initial decomposition steps

2012 International Journal of Chemical Kinetics
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Accurate Coupled Cluster Calculations of the Reaction Barrier Heights of Two CH3• + CH4 Reactions†

2009 Journal of Physical Chemistry A
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Accurate Benchmark Calculation of the Reaction Barrier Height for Hydrogen Abstraction by the Hydroperoxyl Radical from Methane. Implications for CnH2n+2 where n = 2 → 4

2008 Journal of Physical Chemistry A
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Accurate ab initio computation of thermochemical data for C3Hx (x=0,…,4) species

2008 Chemical Physics
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Density Functional Theory Study of the Formation of Naphthalene and Phenanthrene from Reactions of Phenyl with Vinyl- and Phenylacetylene.

2007 Journal of Chemical Theory and Computation
- Jorge Aguilera-Iparraguirre
- Wim Klopper
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Citations (24)