| Why do TD-DFT excitation energies of BODIPY/aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods MR Momeni, A Brown Journal of chemical theory and computation 11 (6), 2619-2632, 2015 | 191 | 2015 |
| Accessing zinc monohydride cations through coordinative interactions PA Lummis, MR Momeni, MW Lui, R McDonald, MJ Ferguson, ... Angewandte Chemie 126 (35), 9501-9505, 2014 | 123 | 2014 |
| Carbene-bound borane and silane adducts: A comprehensive DFT study on their stability and propensity for hydride-mediated ring expansion MR Momeni, E Rivard, A Brown Organometallics 32 (21), 6201-6208, 2013 | 94 | 2013 |
| Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation M Kalaj, MR Momeni, KC Bentz, KS Barcus, JM Palomba, F Paesani, ... Chemical communications 55 (24), 3481-3484, 2019 | 90 | 2019 |
| Controlled growth of dichlorogermanium oligomers from Lewis basic hosts SMI Al‐Rafia, MR Momeni, R McDonald, MJ Ferguson, A Brown, E Rivard Angewandte Chemie International Edition 25 (52), 6390-6395, 2013 | 78 | 2013 |
| Dual role of water in heterogeneous catalytic hydrolysis of sarin by zirconium-based metal–organic frameworks MR Momeni, CJ Cramer ACS applied materials & interfaces 10 (22), 18435-18439, 2018 | 77 | 2018 |
| Stable complexes of parent digermene: An inorganic analogue of ethylene SMI Al-Rafia, MR Momeni, MJ Ferguson, R McDonald, A Brown, E Rivard Organometallics 32 (22), 6658-6665, 2013 | 61 | 2013 |
| A local CC2 and TDA-DFT double hybrid study on BODIPY/aza-BODIPY dimers as heavy atom free triplet photosensitizers for photodynamic therapy applications MR Momeni, A Brown The Journal of Physical Chemistry A 120 (16), 2550-2560, 2016 | 59 | 2016 |
| Carbenes with reduced heteroatom stabilization: a computational approach MZ Kassaee, FA Shakib, MR Momeni, M Ghambarian, SM Musavi The Journal of Organic Chemistry 75 (8), 2539-2545, 2010 | 58 | 2010 |
| Structural Characterization of Pristine and Defective [Zr12(μ3-O)8(μ3-OH)8(μ2-OH)6]18+ Double-Node Metal–Organic Framework and Predicted … MR Momeni, CJ Cramer Chemistry of Materials 30 (13), 4432-4439, 2018 | 49 | 2018 |
| Computational screening of roles of defects and metal substitution on reactivity of different single-vs double-node metal–organic frameworks for sarin decomposition MR Momeni, CJ Cramer The Journal of Physical Chemistry C 123 (24), 15157-15165, 2019 | 42 | 2019 |
| Tuning the properties of metal–organic framework nodes as supports of single-site iridium catalysts: node modification by atomic layer deposition of aluminium D Yang, MR Momeni, H Demir, DR Pahls, M Rimoldi, TC Wang, OK Farha, ... Faraday discussions 201, 195-206, 2017 | 41 | 2017 |
| A DFT study on pyridine-derived N-heterocyclic carbenes MZ Kassaee, FA Shakib, MR Momeni, M Ghambarian, SM Musavi Tetrahedron 65 (48), 10093-10098, 2009 | 40 | 2009 |
| Novel α-spirocyclic (alkyl)(amino) carbenes at the theoretical crossroad of flexibility and rigidity MZ Kassaee, MR Momeni, FA Shakib, M Ghambarian, SM Musavi Structural Chemistry 21, 593-598, 2010 | 37 | 2010 |
| A theoretical investigation into dimethylcarbene and its diamino and diphosphino analogs: effects of cyclization and unsaturation on the stability and multiplicity MZ Kassaee, M Ghambarian, SM Musavi, FA Shakib, MR Momeni Journal of Physical Organic Chemistry 22 (10), 919-924, 2009 | 33 | 2009 |
| Stable C20− nSin heterofullerenes (n⩽ 8): A DFT approach MR Momeni, FA Shakib Chemical Physics Letters 492 (1-3), 137-141, 2010 | 28 | 2010 |
| Stable silylenes with acyclic, cyclic, and unsaturated cyclic structures: effects of heteroatoms and cyclopropyl α-substituents at DFT MZ Kassaee, Z Najafi, FA Shakib, MR Momeni Journal of Organometallic Chemistry 696 (10), 2059-2064, 2011 | 18 | 2011 |
| From acyclic dialkylcarbene to the unsaturated cyclic heteroatom substituted ones: a survey of stability MZ Kassaee, M Ghambarian, FA Shakib, MR Momeni Journal of Physical Organic Chemistry 24 (5), 351-359, 2011 | 18 | 2011 |
| Intramolecular singlet fission in quinoidal bi-and tetrathiophenes: a comparative study of low-lying excited electronic states and potential energy surfaces MR Momeni Journal of Chemical Theory and Computation 12 (10), 5067-5075, 2016 | 16 | 2016 |
| Interplay of donor–acceptor interactions in stabilizing boron nitride compounds: insights from theory MR Momeni, L Shulman, E Rivard, A Brown Physical Chemistry Chemical Physics 17 (25), 16525-16535, 2015 | 14 | 2015 |
