| Multiscale modeling of enzymes: QM‐cluster, QM/MM, and QM/MM/MD: a tutorial review S Ahmadi, L Barrios Herrera, M Chehelamirani, J Hostaš, S Jalife, ... International Journal of Quantum Chemistry 118 (9), e25558, 2018 | 168 | 2018 |
| Free vibration analysis of sandwich beam with FG core using the element free Galerkin method MC Amirani, SMR Khalili, N Nemati Composite structures 90 (3), 373-379, 2009 | 137 | 2009 |
| Binding of nucleobases with graphene and carbon nanotube: a review of computational studies M Chehel Amirani, T Tang Journal of Biomolecular Structure and Dynamics 33 (7), 1567-1597, 2015 | 41 | 2015 |
| Quantum mechanical treatment of binding energy between DNA nucleobases and carbon nanotube: A DFT analysis M Chehel Amirani, T Tang, J Cuervo Physica E: Low-dimensional Systems and Nanostructures 54, 65-71, 2013 | 22 | 2013 |
| A QM: MM model for the interaction of DNA nucleotides with carbon nanotubes MC Amirani, T Tang Physical Chemistry Chemical Physics 17 (11), 7564-7575, 2015 | 21 | 2015 |
| Enhanced settling and dewatering of oil sands mature fine tailings with titanomagnetite nanoparticles grafted with polyacrylamide and lauryl sulfate A Hethnawi, T Karaki, YZ Keteklahijani, M Chehelamirani, A Hassan, ... ACS Applied Nano Materials 5 (6), 7679-7695, 2022 | 12 | 2022 |
| Simulation of two dimensional unilateral contact using a coupled FE/EFG method MC Amirani, N Nemati Engineering analysis with boundary elements 35 (1), 96-104, 2011 | 12 | 2011 |
| Electrostatics of DNA nucleotide–carbon nanotube hybrids evaluated from QM: MM simulations MC Amirani, T Tang Nanoscale 7 (46), 19586-19595, 2015 | 10 | 2015 |
| Simultaneous removal of silica and TOC from steam assisted gravity drainage (SAGD) produced water using iron-hydroxide-coated walnut shell filter media A Hethnawi, K Hashlamoun, S Sessarego, M Chehelamirani, NN Nassar Journal of Water Process Engineering 43, 102016, 2021 | 9 | 2021 |
| Electronic properties of carbon nanotubes complexed with a DNA nucleotide M Chehelamirani, MC da Silva, DR Salahub Physical Chemistry Chemical Physics 19 (10), 7333-7342, 2017 | 9 | 2017 |
| Self-assembly synthesis of 3D graphene/nano-Fe3O4 hybrid aerogels with improved mechanical and thermal properties M Jalaly, R Hosseini, A Bakhshi, M Chehelamirani Journal of Alloys and Compounds 902, 163718, 2022 | 8 | 2022 |
| modeling of enzymes: QM-cluster, QM/MM, and QM/MM/MD: A tutorial review S Ahmadi, LB Herrera, M Chehelamirani, J Hostaš, S Jalife Int. J. Quant. Chem. 118, e25558, 2018 | 6 | 2018 |
| Effect of dispersion corrections on covalent and non-covalent interactions in DFTB calculations M Chehelamirani, DR Salahub Structural Chemistry 28, 1399-1407, 2017 | 4 | 2017 |
| Theoretical investigation of 6-mercaptopurine isomers’ adsorption on the Au (001) surface: Revealing the fate of different isomers H Ren, X Cao, Y Zhang, M Chehelamirani, DR Salahub ACS omega 5 (1), 610-618, 2019 | 3 | 2019 |
| Effect of charge redistribution on the binding of DNA nucleotide to carbon nanotube in molecular dynamics M Chehelamirani, T Tang Molecular Simulation 43 (8), 610-624, 2017 | 2 | 2017 |
| Molecular Simulation of DNA Nucleotide-carbon Nanotube Hybrids MC Amirani University of Alberta, 2015 | | 2015 |
| Supporting information for: Electronic Properties of Carbon Nanotubes Complexed with a DNA Nucleotide M Chehelamirani, MC da Silva, DR Salahub | | |
| Supporting information for: A QM: MM Model for the Interaction of DNA Nucleotides with Carbon Nanotube MC Amirani, T Tang | | |
Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryVerified email at ucalgary.ca
