| 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), 084801, 2021 | 643 | 2021 |
| Detecting mid-infrared light by molecular frequency upconversion in dual-wavelength nanoantennas A Xomalis, X Zheng, R Chikkaraddy, Z Koczor-Benda, E Miele, E Rosta, ... Science 374 (6572), 1268-1271, 2021 | 78 | 2021 |
| Communication: Analytic gradients for the complex absorbing potential equation-of-motion coupled-cluster method Z Benda, TC Jagau The Journal of chemical physics 146 (3), 2017 | 34 | 2017 |
| Mechanistic Study of Silver‐Mediated Furan Formation by Oxidative Coupling J Daru, Z Benda, Á Póti, Z Novák, A Stirling Chemistry–A European Journal 20 (47), 15395-15400, 2014 | 31 | 2014 |
| Locating exceptional points on multidimensional complex-valued potential energy surfaces Z Benda, TC Jagau The journal of physical chemistry letters 9 (24), 6978-6984, 2018 | 30 | 2018 |
| Understanding processes following resonant electron attachment: Minimum-energy crossing points between anionic and neutral potential energy surfaces Z Benda, TC Jagau Journal of Chemical Theory and Computation 14 (8), 4216-4223, 2018 | 27 | 2018 |
| Structure optimization of temporary anions Z Benda, K Rickmeyer, TC Jagau Journal of Chemical Theory and Computation 14 (7), 3468-3478, 2018 | 19 | 2018 |
| Breaking the selection rules of spin-forbidden molecular absorption in plasmonic nanocavities OS Ojambati, WM Deacon, R Chikkaraddy, C Readman, Q Lin, ... ACS photonics 7 (9), 2337-2342, 2020 | 18 | 2020 |
| Characterization of the excited states of DNA building blocks: a coupled cluster computational study Z Benda, PG Szalay Physical Chemistry Chemical Physics 18 (34), 23596-23606, 2016 | 14 | 2016 |
| Details of the excited-state potential energy surfaces of adenine by coupled cluster techniques Z Benda, PG Szalay The Journal of Physical Chemistry A 118 (32), 6197-6207, 2014 | 14 | 2014 |
| Spectroscopic evidence for peptide-bond-selective ultraviolet photodissociation AY Pereverzev, Z Koczor-Benda, E Saparbaev, VN Kopysov, E Rosta, ... The journal of physical chemistry letters 11 (1), 206-209, 2019 | 13 | 2019 |
| Molecular screening for terahertz detection with machine-learning-based methods Z Koczor-Benda, AL Boehmke, A Xomalis, R Arul, C Readman, ... Physical Review X 11 (4), 041035, 2021 | 5 | 2021 |
| Molecular Vibration Explorer: an Online Database and Toolbox for Surface-Enhanced Frequency Conversion and Infrared and Raman Spectroscopy Z Koczor-Benda, P Roelli, C Galland, E Rosta The Journal of Physical Chemistry A 126 (28), 4657-4663, 2022 | 3 | 2022 |
| Analytic Evaluation of Nonadiabatic Couplings within the Complex Absorbing Potential Equation-of-Motion Coupled-Cluster Method K Chatterjee, Z Koczor-Benda, X Feng, AI Krylov, TC Jagau Journal of Chemical Theory and Computation 19 (17), 5821-5834, 2023 | 2 | 2023 |
| Direct calculation of electron transfer rates with the binless dynamic histogram analysis method Z Koczor-Benda, T Mateeva, E Rosta The Journal of Physical Chemistry Letters 14 (44), 9935-9942, 2023 | 1 | 2023 |
| Doubly resonant nanocavities for molecular frequency upconversion at the single-photon level P Roelli, C Galland, W Chen, T Kippenberg, H Hu, Z Koczor-Benda APS March Meeting Abstracts 2022, N26. 014, 2022 | | 2022 |
| Detecting mid-infrared light by molecular frequency upconversion in dual-wavelength nanoantennas A Xomalis, X Zheng, R Chikkaraddy, Z Koczor-Benda, E Miele, E Rosta, ... American Association for the Advancement of Science (AAAS), 2021 | | 2021 |
| Research data supporting" Detecting mid-infrared light by molecular frequency upconversion with dual-wavelength hybrid nanoantennas" A Xomalis, X Zheng, R Chikkaraddy, Z Koczor-Benda, E Miele, E Rosta, ... | | 2021 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package W Skomorowski, PR Horn, AF White, P Pokhilko, N Mardirossian, Y Mao, ... Journal of Chemical Physics, 2021 | | 2021 |
| Research data supporting" Breaking the Selection Rules of Spin-Forbidden Molecular Absorption in Plasmonic Nanocavities" O Ojambati, W Deacon, R Chikkaraddy, C Readman, Q Lin, ... | | 2020 |
