| Reaction barrier heights for cycloreversion of heterocyclic rings: An Achilles’ heel for DFT and standard ab initio procedures LJ Yu, F Sarrami, RJ O’Reilly, A Karton Chemical Physics 458, 1-8, 2015 | 89 | 2015 |
| Heterologous biosynthesis of elsinochrome A sheds light on the formation of the photosensitive perylenequinone system J Hu, F Sarrami, H Li, G Zhang, KA Stubbs, E Lacey, SG Stewart, A Karton, ... Chemical science 10 (5), 1457-1465, 2019 | 82 | 2019 |
| Sol-Gel auto-combustion synthesis and physicochemical properties of BaAl2O4 nanoparticles; electrochemical hydrogen storage performance and density functional theory A Salehabadi, M Salavati-Niasari, F Sarrami, A Karton Renewable Energy 114, 1419-1426, 2017 | 56 | 2017 |
| Study of dual encapsulation possibility of hydrophobic and hydrophilic drugs into a nanocarrier based on bio-polymer coated graphene oxide using density functional theory … S Moradi, M Taran, P Mohajeri, K Sadrjavadi, F Sarrami, A Karton, ... Journal of Molecular Liquids 262, 204-217, 2018 | 45 | 2018 |
| Dy3Al2(AlO4)3 ceramic nanogarnets: Sol-gel auto-combustion synthesis, characterization and joint experimental and computational structural analysis for electrochemical hydrogen … AK A. Salehabadi, F. Sarrami, M. Salavati-Niasari, T. Gholami, D. Spagnoli Journal of Alloys and Compounds 744, 574-582, 2018 | 39 | 2018 |
| Can DFT and ab initio methods describe all aspects of the potential energy surface of cycloreversion reactions? LJ Yu, F Sarrami, RJ O'Reilly, A Karton Molecular Physics 114 (1), 21-33, 2016 | 28 | 2016 |
| An assessment of theoretical procedures for π-conjugation stabilisation energies in enones LJ Yu, F Sarrami, A Karton, RJ O’Reilly Molecular Physics 113 (11), 1284-1296, 2015 | 26 | 2015 |
| Computational design of bio-inspired carnosine-based HOBr antioxidants F Sarrami, LJ Yu, A Karton Journal of computer-aided molecular design 31, 905-913, 2017 | 13 | 2017 |
| Effect of H3O+ on the Structure and Dynamics of Water at the Interface with Phospholipid Bilayers E Deplazes, F Sarrami, D Poger The Journal of Physical Chemistry B 124 (8), 1361-1373, 2020 | 11 | 2020 |
| A computational investigation of the sulphuric acid‐catalysed 1, 4‐hydrogen transfer in higher Criegee intermediates F Sarrami, FA Mackenzie‐Rae, A Karton International Journal of Quantum Chemistry 118 (14), e25599, 2018 | 11 | 2018 |
| Thermochemistry of icosahedral closo-dicarboranes: A composite ab initio quantum-chemical perspective F Sarrami, LJ Yu, A Karton Canadian Journal of Chemistry 94 (12), 1082-1089, 2016 | 7 | 2016 |
| Electrochemical oxygen reduction reaction at conductive polymer PEDOT: Insight from ab initio molecular dynamics simulations F Sarrami, V Gueskine, I Zozoulenko Chemical Physics 551, 111308, 2021 | 5 | 2021 |
| Sulphuric acid-catalysed formation of hemiacetal from glyoxal and ethanol F Sarrami, LJ Yu, W Wan, A Karton Chemical Physics Letters 675, 27-34, 2017 | 5 | 2017 |
| Mechanistic insights into the water-catalysed ring-opening reaction of vitamin E by means of double-hybrid density functional theory F Sarrami, AA Kroeger, A Karton Chemical Physics Letters 708, 123-129, 2018 | 3 | 2018 |
Amir KartonProfessor of Chemistry, Associate Dean of Research, University of New England (Twitter @Lab_initio)Verified email at une.edu.au
