| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 695 | 2021 |
| Intermolecular Coulombic Decay in Biology: The Initial Electron Detachment from FADH– in DNA Photolyases PHP Harbach, M Schneider, S Faraji, A Dreuw The journal of physical chemistry letters 4 (6), 943-949, 2013 | 72 | 2013 |
| Towards a higher-order description of Jahn–Teller coupling effects in molecular spectroscopy: The A∼ 2E ″state of NO3 S Faraji, H Köppel, W Eisfeld, S Mahapatra Chemical Physics 347 (1-3), 110-119, 2008 | 66 | 2008 |
| Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods S Faraji, S Matsika, AI Krylov The Journal of chemical physics 148 (4), 2018 | 62 | 2018 |
| Physicochemical mechanism of light-driven DNA repair by (6-4) photolyases S Faraji, A Dreuw Annual review of physical chemistry 65 (1), 275-292, 2014 | 54 | 2014 |
| Structure and photophysics of indigoids for singlet fission: Cibalackrot JL Ryerson, A Zaykov, LE Aguilar Suarez, RWA Havenith, BR Stepp, ... The Journal of chemical physics 151 (18), 2019 | 52 | 2019 |
| Roadmap on dynamics of molecules and clusters in the gas phase H Zettergren, A Domaracka, T Schlathölter, P Bolognesi, S Díaz-Tendero, ... The European Physical Journal D 75 (5), 152, 2021 | 45 | 2021 |
| Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations S Faraji, HD Meyer, H Köppel The Journal of chemical physics 129 (7), 2008 | 44 | 2008 |
| Insights into light‐driven DNA repair by photolyases: Challenges and opportunities for electronic structure theory S Faraji, A Dreuw Photochemistry and photobiology 93 (1), 37-50, 2017 | 43 | 2017 |
| Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent … Q Meng, S Faraji, O Vendrell, HD Meyer The Journal of Chemical Physics 137 (13), 2012 | 43 | 2012 |
| Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole S Faraji, M Vazdar, VS Reddy, M Eckert-Maksic, H Lischka, H Koeppel The Journal of chemical physics 135 (15), 2011 | 43 | 2011 |
| On the nature of an extended Stokes shift in the mPlum fluorescent protein S Faraji, AI Krylov The Journal of Physical Chemistry B 119 (41), 13052-13062, 2015 | 37 | 2015 |
| Q-Force: Quantum mechanically augmented molecular force fields S Sami, MFSJ Menger, S Faraji, R Broer, RWA Havenith Journal of Chemical Theory and Computation 17 (8), 4946-4960, 2021 | 33 | 2021 |
| Combined QM/MM investigation on the light-driven electron-induced repair of the (6–4) thymine dimer catalyzed by DNA photolyase S Faraji, G Groenhof, A Dreuw The Journal of Physical Chemistry B 117 (35), 10071-10079, 2013 | 29 | 2013 |
| Characterization of the Intermediate in and Identification of the Repair Mechanism of (6‐4) Photolesions by Photolyases S Faraji, D Zhong, A Dreuw Angewandte Chemie International Edition 55 (17), 5175-5178, 2016 | 28 | 2016 |
| Proton-transfer-steered mechanism of photolesion repair by (6–4)-photolyases S Faraji, A Dreuw The Journal of Physical Chemistry Letters 3 (2), 227-230, 2012 | 27 | 2012 |
| A quantum chemical perspective on (6-4) photolesion repair by photolyases A Dreuw, S Faraji Physical Chemistry Chemical Physics 15 (46), 19957-19969, 2013 | 25 | 2013 |
| Multistate vibronic interactions in difluorobenzene radical cations. I. Electronic structure calculations S Faraji, H Köppel The Journal of chemical physics 129 (7), 2008 | 25 | 2008 |
| Theoretical study of cyclohexadiene/hexatriene photochemical interconversion using spin-flip time-dependent density functional theory E Salazar, S Faraji Molecular Physics 118 (19-20), e1764120, 2020 | 22 | 2020 |
| Pre-exascale accelerated application development: The ORNL Summit experience L Luo, TP Straatsma, LEA Suarez, R Broer, D Bykov, EF D'Azevedo, ... IBM Journal of Research and Development 64 (3/4), 11: 1-11: 21, 2020 | 21 | 2020 |
