| Mild Palladium‐Catalyzed Oxidative Direct ortho‐CH Acylation of Anilides under Aqueous Conditions F Szabo, J Daru, D Simko, TZ Nagy, A Stirling, Z Novak Advanced Synthesis & Catalysis 355 (4), 685-691, 2013 | 86 | 2013 |
| Mechanism of the Pechmann reaction: a theoretical study J Daru, A Stirling The Journal of organic chemistry 76 (21), 8749-8755, 2011 | 82 | 2011 |
| Efficient direct 2, 2, 2-trifluoroethylation of indoles via C–H functionalization GL Tolnai, A Székely, Z Makó, T Gáti, J Daru, T Bihari, A Stirling, Z Novák Chemical communications 51 (21), 4488-4491, 2015 | 77 | 2015 |
| Coupled cluster molecular dynamics of condensed phase systems enabled by machine learning potentials: Liquid water benchmark J Daru, H Forbert, J Behler, D Marx Physical Review Letters 129 (22), 226001, 2022 | 38 | 2022 |
| 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 |
| Mechanism of heterolytic hydrogen splitting by frustrated Lewis pairs: Comparison of static and dynamic models J Daru, I Bako, A Stirling, I Papai ACS Catalysis 9 (7), 6049-6057, 2019 | 29 | 2019 |
| Revisiting the amine-catalysed cross-coupling Z Novák, R Adamik, JT Csenki, F Béke, R Gavaldik, B Varga, B Nagy, ... Nature Catalysis 4 (12), 991-993, 2021 | 26 | 2021 |
| Divided saddle theory: A new idea for rate constant calculation J Daru, A Stirling Journal of Chemical Theory and Computation 10 (3), 1121-1127, 2014 | 14 | 2014 |
| Study of Lewis acid accelerated palladium catalyzed CH activation O Tischler, S Kovács, G Érsek, P Králl, J Daru, A Stirling, Z Novák Journal of Molecular Catalysis A: Chemical 426, 444-450, 2017 | 13 | 2017 |
| Effects of H-bond asymmetry on the electronic properties of liquid water–An AIMD analysis I Bako, J Daru, S Pothoczki, L Pusztai, K Hermansson Journal of Molecular Liquids 293, 111579, 2019 | 10 | 2019 |
| Terahertz spectra of microsolvated ions: Do they reveal bulk solvation properties? PK Gupta, P Schienbein, J Daru, D Marx The Journal of Physical Chemistry Letters 10 (3), 393-398, 2019 | 9 | 2019 |
| Curse or blessing? Influence of impurities on cross-coupling—guideline for elucidating catalysts Z Novák, R Adamik, JT Csenki, F Béke, R Gavaldik, B Varga, B Nagy, ... | 6 | 2021 |
| Total Synthesis and Structural Plasticity of Kratom Pseudoindoxyl Metabolites P Angyal, K Hegedüs, BB Mészáros, J Daru, Á Dudás, AR Galambos, ... Angewandte Chemie International Edition 62 (35), e202303700, 2023 | 4 | 2023 |
| Competition between Coulomb and van der Waals Interactions in Aggregates on Cu(111) Surfaces J Thomas, C Bertram, J Daru, J Patwari, I Langguth, P Zhou, D Marx, ... Physical Review Letters 127 (26), 266802, 2021 | 3 | 2021 |
| Restricting Solvation to Two Dimensions: Soft Landing of Microsolvated Ions on Inert Surfaces J Daru, PK Gupta, D Marx The Journal of Physical Chemistry Letters 10 (4), 831-835, 2019 | 1 | 2019 |
| Theoretical investigation of reaction mechanism-from methodological development to applications J Daru | 1 | 2015 |
| Emerging conformational analysis protocols from the RTCONF-16K reaction thermochemistry conformational benchmark set BB Mészáros, K Kubicskó, DD Németh, J Daru | | 2024 |
| Guideline for Elucidating Catalysts J Daru, Z Gonda, Z May, Z Novák, GL Tolnai | | 2024 |
| Bioinspired Synthesis of (–)-Hunterine A: Deciphering a Unique Deconstructive Route B Zsigulics, P Angyal, BB Mészáros, J Daru, S Varga, T Soós | | 2024 |
| Syntheses and structural plasticity of kratom pseudoindoxyl metabolites P Angyal, K Hegedüs, BB Mészáros, J Daru, Á Dudás, AR Galambos, ... | | 2023 |
