| Harder, better, faster, stronger: Large-scale QM and QM/MM for predictive modeling in enzymes and proteins V Vennelakanti, A Nazemi, R Mehmood, AH Steeves, HJ Kulik Current opinion in structural biology 72, 9-17, 2022 | 53 | 2022 |
| Control of C–H Bond Activation by Mo-Oxo Complexes: pKa or Bond Dissociation Free Energy (BDFE)? A Nazemi, TR Cundari Inorganic Chemistry 56 (20), 12319-12327, 2017 | 21 | 2017 |
| Using Computational Chemistry To Reveal Nature’s Blueprints for Single-Site Catalysis of C–H Activation A Nandy, H Adamji, DW Kastner, V Vennelakanti, A Nazemi, M Liu, ... ACS Catalysis 12 (15), 9281-9306, 2022 | 20 | 2022 |
| Synthesis and photocatalytic activity of V-doped mesoporous TiO2 photosensitized with porphyrin supported by SBA-15 A Najafian, R Rahimi, S Zargari, M Mahjoub-Moghaddas, A Nazemi Research on Chemical Intermediates 42, 3441-3458, 2016 | 17 | 2016 |
| Controlling the anodizing conditions in preparation of an nanoporous anodic aluminium oxide template A Nazemi, S Abolfazl, S Sadjadi Materials Science-Poland 32, 565-570, 2014 | 15 | 2014 |
| A PdIII Sulfate Dimer Initiates Rapid Methane Monofunctionalization by H Atom Abstraction RS Kim, A Nazemi, TR Cundari, Y Surendranath ACS Catalysis 10 (24), 14782-14792, 2020 | 14 | 2020 |
| Aluminium oxide nanowires synthesis from high purity aluminium films via two-step anodization A Nazemi, A Najafian, SAS Sadjadi Superlattices and Microstructures 81, 1-6, 2015 | 14 | 2015 |
| Influence of the greater protein environment on the electrostatic potential in metalloenzyme active sites: the case of formate dehydrogenase A Nazemi, AH Steeves, DW Kastner, HJ Kulik The Journal of Physical Chemistry B 126 (22), 4069-4079, 2022 | 10 | 2022 |
| DFT study of substituent effects in the hydroxylation of methane and toluene mediated by an ethylbenzene dehydrogenase active site model JOC Jimenez-Halla, A Nazemi, TR Cundari Journal of Organometallic Chemistry 864, 44-49, 2018 | 9 | 2018 |
| Large-scale screening reveals that geometric structure matters more than electronic structure in the bioinspired catalyst design of formate dehydrogenase mimics M Liu, A Nazemi, MG Taylor, A Nandy, C Duan, AH Steeves, HJ Kulik ACS Catalysis 12 (1), 383-396, 2021 | 7 | 2021 |
| Mechanistic studies of a skatole-forming glycyl radical enzyme suggest reaction initiation via hydrogen atom transfer B Fu, A Nazemi, BJ Levin, Z Yang, HJ Kulik, EP Balskus Journal of the American Chemical Society 144 (25), 11110-11119, 2022 | 4 | 2022 |
| Importance of Nitrogen–Hydrogen Bond pKa in the Catalytic Coupling of Alkenes and Amines by Amidate Tantalum Complexes: A Computational Study A Nazemi, TR Cundari The Journal of Physical Chemistry A 123 (40), 8595-8606, 2019 | 4 | 2019 |
| Computational Analysis of Proton-Coupled Electron Transfer in Hydrotris (triazolyl) borate Mid–Late 3d and 4d Transition Metal Complexes A Nazemi, TR Cundari Organometallics 38 (19), 3521-3531, 2019 | 1 | 2019 |
| High Throughput Screening of Bio-Inspired Mo/W Catalysts M Liu, A Nazemi, H Kulik 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Understanding the Role of Geometric and Electronic Structure in Bioinspired Catalyst Design: the Case of Formate Dehydrogenase M Liu, A Nazemi, M Taylor, A Nandy, C Duan, A Steeves, H Kulik | | 2021 |
| Study the PKa of CH Bonds and Proton-Coupled Electron Transfer Process by Transition Metal Complexes Via Computational Methods A Nazemi University of North Texas, 2020 | | 2020 |
| Systematic study of proton-coupled electron transfer in tris (triazolyl) borate mid-late 3d, 4d-transition metals complexes: Computational study A Nazemi, T Cundari ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Computational analysis of proton-coupled electron transfer in molecular electrocatalysts containing tris (triazolyl) borate ligand A Nazemi, T Cundari ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| DFT study of hydroaminoalkylation of alkenes with amidate tantalum complexes A Nazemi, T Cundari ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
Ahmad NajafianVerified email at emdserono.com
Ahmad NajafianVerified email at emdserono.com