| 1 |
Theoretical insights into dehydrogenative chemisorption of alkylaromatics on Pt(100) and Ni(100)
Alghamdi AO, Jedidi A, Aziz SG, Takanabe K, Cavallo L
Journal of Catalysis, 363, 197, 2018 |
| 2 |
Toward better understanding of the support effect: Test cases for CO dissociation on Fen/TiO2(110), n=4, 5
Jedidi A, Aziz SG, Cavallo L, Minot C
Chemical Physics Letters, 684, 30, 2017 |
| 3 |
Nucleophilic Aromatic Addition in Ionizing Environments: Observation and Analysis of New C-N Valence Bonds in Complexes between Naphthalene Radical Cation and Pyridine
Peverati R, Platt SP, Attah IK, Aziz SG, El-Shall MS, Head-Gordon M
Journal of the American Chemical Society, 139(34), 11923, 2017 |
| 4 |
Xe-bearing hydrocarbon ions: Observation of Xe.acetylene(+center dot) and Xe.benzene(+center dot) radical cations and calculations of their ground state structures
Cui ZH, Attah IK, Platt SP, Aziz SG, Kertesz M, El-Shall MS
Chemical Physics Letters, 649, 8, 2016 |
| 5 |
Gas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations
Aziz SG, Osman OI, Elroby SA, Hilal RH
International Journal of Molecular Sciences, 16(11), 26347, 2015 |
| 6 |
Towards Understanding the Decomposition/Isomerism Channels of Stratospheric Bromine Species: Ab Initio and Quantum Topology Study
Aziz SG, Alyoubi AO, Elroby SA, Osman OI, Hilal RH
International Journal of Molecular Sciences, 16(4), 6783, 2015 |
| 7 |
Structure and Disorder in Squaraine-C60 Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor-Acceptor Interface
Fu YT, da Silva DA, Sini G, Asiri AM, Aziz SG, Risko C, Bredas JL
Advanced Functional Materials, 24(24), 3790, 2014 |
| 8 |
Hydrogen bonding of the naphthalene radical cation to water and methanol and attachment of the naphthalene ion to extended hydrogen bonding chains
Attah IK, Platt SP, Meot-Ner M, El-Shall MS, Aziz SG, Alyoubi AO
Chemical Physics Letters, 613, 45, 2014 |
| 9 |
Does Prop-2-ynylideneamine, HC CCH=NH, Exist in Space? A Theoretical and Computational Investigation
Osman OI, Elroby SA, Aziz SG, Hilal RH
International Journal of Molecular Sciences, 15(6), 11064, 2014 |
| 10 |
Substituent Effects on Noncovalent Bonds: Complexes of Ionized Benzene Derivatives with Hydrogen Cyanide
Attah IK, Hamid AM, Meot-Ner M, El-Shall MS, Aziz SG, Alyoubi AO
Journal of Physical Chemistry A, 117(41), 10588, 2013 |
