A unified view to Brønsted acidity scales: do we need solvated protons? E Paenurk, K Kaupmees, D Himmel, A Kütt, I Kaljurand, IA Koppel, ... Chemical Science 8 (10), 6964-6973, 2017 | 79 | 2017 |
Peptide–Metal Frameworks with Metal Strings Guided by Dispersion Interactions T Schnitzer, E Paenurk, N Trapp, R Gershoni-Poranne, H Wennemers Journal of the American Chemical Society 143 (2), 644-648, 2021 | 45 | 2021 |
Trends in metallophilic bonding in Pd–Zn and Pd–Cu complexes E Paenurk, R Gershoni-Poranne, P Chen Organometallics 36 (24), 4854-4863, 2017 | 32 | 2017 |
Simple and efficient visualization of aromaticity: bond currents calculated from NICS values E Paenurk, R Gershoni-Poranne Physical Chemistry Chemical Physics 24 (15), 8631-8644, 2022 | 30 | 2022 |
The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata-Condensed Polybenzenoid Hydrocarbons A Wahab, L Pfuderer, E Paenurk, R Gershoni-Poranne Journal of Chemical Information and Modeling 62 (16), 3704-3713, 2022 | 17 | 2022 |
Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet‐Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs G Markert, E Paenurk, R Gershoni-Poranne Chemistry–A European Journal 27 (23), 6923-6935, 2021 | 17 | 2021 |
Synthesis, Spectroscopic, and Structural Characterization of Organyl Disulfanides and a Tetrasulfanide S Jungen, E Paenurk, P Chen Inorganic chemistry 59 (17), 12322-12336, 2020 | 14 | 2020 |
Text‐based representations with interpretable machine learning reveal structure–property relationships of polybenzenoid hydrocarbons S Fite, A Wahab, E Paenurk, Z Gross, R Gershoni‐Poranne Journal of Physical Organic Chemistry 36 (1), e4458, 2023 | 7 | 2023 |
Modeling gas-phase unimolecular dissociation for bond dissociation energies: comparison of statistical rate models within RRKM theory E Paenurk, P Chen The Journal of Physical Chemistry A 125 (9), 1927-1940, 2021 | 6 | 2021 |
Predicting bond-currents in polybenzenoid hydrocarbons with an additivity scheme E Paenurk, S Feusi, R Gershoni-Poranne The Journal of Chemical Physics 154 (2), 2021 | 6 | 2021 |
Extensive Redox Non-Innocence in Iron Bipyridine-Diimine Complexes: a Combined Spectroscopic and Computational Study R Thenarukandiyil, E Paenurk, A Wong, N Fridman, A Karton, R Carmieli, ... Inorganic chemistry 60 (23), 18296-18306, 2021 | 5 | 2021 |
Perturbation of Pyridinium CIVP Spectra by N2 and H2 Tags: An Experimental and BOMD Study A Tsybizova, E Paenurk, V Gorbachev, P Chen The Journal of Physical Chemistry A 124 (41), 8519-8528, 2020 | 5 | 2020 |
Revealing Structure-Property Relationships in Polybenzenoid Hydrocarbons with Interpretable Machine-Learning S Fite, A Wahab, E Paenurk, Z Gross, R Gershoni-Poranne | 2 | 2022 |
Squeezed Protons and Infrared Plasmonic Resonance Energy Transfer TE Li, E Paenurk, S Hammes-Schiffer The Journal of Physical Chemistry Letters 15 (3), 751-757, 2024 | | 2024 |
Robustness of Threshold Collision-Induced Dissociation Simulations for Bond Dissociation Energies E Paenurk, P Chen The Journal of Physical Chemistry A 128 (1), 333–342, 2023 | | 2023 |
Gas-Phase Bond Dissociation Energies: Reconciling Theory with Experiment E Paenurk ETH Zurich, 2022 | | 2022 |
Cover Feature: Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet–Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs (Chem. Eur … G Markert, E Paenurk, R Gershoni‐Poranne Chemistry–A European Journal 27 (23), 6818-6818, 2021 | | 2021 |