| 1 |
Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The H Abstraction Pathway
Shiroudi A, Deleuze MS
Journal of Physical Chemistry A, 118(20), 3625, 2014 |
| 2 |
Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The OH-Addition Pathway
Shiroudi A, Deleuze MS, Canneaux S
Journal of Physical Chemistry A, 118(26), 4593, 2014 |
| 3 |
Photoelectron and Electron Momentum Spectroscopy of Tetrahydrofuran from a Molecular Dynamical Perspective
Shojaei SHR, Morini F, Deleuze MS
Journal of Physical Chemistry A, 117(9), 1918, 2013 |
| 4 |
Quenching of magnetism in hexagonal graphene nanoflakes by non-local electron correlation
Hajgato B, Deleuze MS
Chemical Physics Letters, 553, 6, 2012 |
| 5 |
Focal Point Analysis of the Singlet-Triplet Energy Gap of Octacene and Larger Acenes
Hajgato B, Huzak M, Deleuze MS
Journal of Physical Chemistry A, 115(33), 9282, 2011 |
| 6 |
Electron Momentum Spectroscopy of pyrimidine at the benchmark ADC(3) level
Shojaei SHR, Hajgato B, Deleuze MS
Chemical Physics Letters, 498(1-3), 45, 2010 |
| 7 |
Electron Momentum Spectroscopy of Norbornadiene at the Benchmark ADC(3) Level
Morini F, Hajgato B, Deleuze MS
Journal of Physical Chemistry A, 114(34), 9374, 2010 |
| 8 |
Quantum Chemical Study of Conformational Fingerprints in the Photoelectron Spectra and (e, 2e) Electron Momentum Distributions of n-Hexane
Morini F, Knippenberg S, Deleuze MS, Hajgato B
Journal of Physical Chemistry A, 114(12), 4400, 2010 |
| 9 |
Probing Nuclear Dynamics in Momentum Space: A New Interpretation of (e, 2e) Electron Impact Ionization Experiments on Ethanol
Hajgato B, Deleuze MS, Morini F
Journal of Physical Chemistry A, 113(25), 7138, 2009 |
| 10 |
Study of the valence wave function of thiophene with high resolution electron momentum spectroscopy and advanced dyson orbital theories
Huang YR, Hajgato B, Ning CG, Zhang SF, Liu K, Luo ZH, Deng JK, Deleuze MS
Journal of Physical Chemistry A, 112(11), 2339, 2008 |
