Non-monotonic surface charging behavior of platinum: a paradigm change J Huang, A Malek, J Zhang, MH Eikerling The Journal of Physical Chemistry C 120 (25), 13587-13595, 2016 | 153 | 2016 |
Fundamental studies of aluminum corrosion in acidic and basic environments: Theoretical predictions and experimental observations M Lashgari, AM Malek Electrochimica Acta 55 (18), 5253-5257, 2010 | 104 | 2010 |
How theory and simulation can drive fuel cell electrocatalysis MJ Eslamibidgoli, J Huang, T Kadyk, A Malek, M Eikerling Nano Energy 29, 334-361, 2016 | 92 | 2016 |
Revisiting the chemical reactivity indices as the state function derivatives. The role of classical chemical hardness A Malek, R Balawender The Journal of Chemical Physics 142 (5), 2015 | 43 | 2015 |
Synthesis and structure–property relationships of novel thiazole‐containing poly (amide imide) s with high refractive indices and low birefringences A Javadi, A Shockravi, A Rafieimanesh, A Malek, S Ando polymer international 64 (4), 486-495, 2015 | 38 | 2015 |
High refractive index and low-birefringence polyamides containing thiazole and naphthalene units A Javadi, Z Najjar, S Bahadori, V Vatanpour, A Malek, E Abouzari-Lotf, ... RSC advances 5 (111), 91670-91682, 2015 | 36 | 2015 |
Horton 2.0. 1 T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ... URL http://theochem. github. com/horton, 2015 | 35 | 2015 |
Nitro-substituted polyamides: A new class of transparent and highly refractive materials A Javadi, A Shockravi, M Koohgard, A Malek, FA Shourkaei, S Ando European Polymer Journal 66, 328-341, 2015 | 32 | 2015 |
Molecular modeling of the proton density distribution in a water-filled slab-like nanopore bounded by Pt oxide and ionomer A Nouri-Khorasani, K Malek, A Malek, T Mashio, DP Wilkinson, ... Catalysis Today 262, 133-140, 2016 | 29 | 2016 |
Solution processable polyamides containing thiazole units and thioether linkages with high optical transparency, high refractive index, and low birefringence A Javadi, A Shockravi, M Kamali, A Rafieimanesh, AM Malek Journal of Polymer Science Part A: Polymer Chemistry 51 (16), 3505-3515, 2013 | 29 | 2013 |
Chemisorbed oxygen at Pt (111): a DFT study of structural and electronic surface properties A Malek, MH Eikerling Electrocatalysis 9, 370-379, 2018 | 27 | 2018 |
Strategies in cell design and operation for the electrosynthesis of ammonia: status and prospects W Bi, N Shaigan, A Malek, K Fatih, E Gyenge, DP Wilkinson Energy & Environmental Science 15 (6), 2259-2287, 2022 | 24 | 2022 |
A Data-Driven Framework for the Accelerated Discovery of CO2 Reduction Electrocatalysts A Malek, Q Wang, S Baumann, O Guillon, M Eikerling, K Malek Frontiers in energy research 9, 609070, 2021 | 18 | 2021 |
Horton 2.0. 0, 2015 T Verstraelen, K Boguslawski, P Tecmer, F Heidar-Zadeh, M Chan, ... | 16* | 2015 |
Aquivion ionomer in mixed alcohol–water solution: insights from multiscale molecular modeling A Malek, E Sadeghi, J Jankovic, M Eikerling, K Malek The Journal of Physical Chemistry C 124 (6), 3429-3438, 2020 | 14 | 2020 |
Virtual Materials Intelligence for Design and Discovery of Advanced Electrocatalysts A Malek, MJ Eslamibidgoli, M Mokhtari, Q Wang, MH Eikerling, K Malek ChemPhysChem, 2019 | 13 | 2019 |
Highly refractive thiazole-containing polyimides: a structural property comparison A Javadi, A Shockravi, FA Shourkaei, M Koohgard, A Malek Journal of Polymer Research 25, 1-13, 2018 | 6 | 2018 |
Correction to “Non-monotonic Surface Charging Behavior of Platinum: A Paradigm Change” J Huang, A Malek, J Zhang, MH Eikerling The Journal of Physical Chemistry C 121 (46), 26140-26140, 2017 | 3 | 2017 |
Discontinuities of energy derivatives in spin-density functional theory AM Malek, R Balawender arXiv preprint arXiv:1310.6918, 2013 | 3 | 2013 |
Testing exchange–correlation functionals at fractional electron numbers A Malek, D Peng, W Yang, R Balawender, A Holas Theoretical Chemistry Accounts 133, 1-7, 2014 | 2 | 2014 |