| The MRCC program system: Accurate quantum chemistry from water to proteins M Kállay, RP Nagy, D Mester, Z Rolik, G Samu, J Csontos, J Csóka, ... Journal of Chemical Physics 152, 074107, 2020 | 379 | 2020 |
| MRCC, a quantum chemical program suite M Kállay, PR Nagy, Z Rolik, D Mester, G Samu, J Csontos, J Csóka, ... URL: http://www. mrcc. hu, accessed August 26th, 2016 | 290 | 2016 |
| Construction and application of a new dual-hybrid random phase approximation PD Mezei, GI Csonka, A Ruzsinszky, M Kállay Journal of Chemical Theory and Computation 11 (10), 4615-4626, 2015 | 72 | 2015 |
| Electron density errors and density-driven exchange-correlation energy errors in approximate density functional calculations PD Mezei, GI Csonka, M Kállay Journal of Chemical Theory and Computation 13 (10), 4753-4764, 2017 | 65 | 2017 |
| Simple modifications of the SCAN meta-generalized gradient approximation functional PD Mezei, GI Csonka, M Kállay Journal of chemical theory and computation 14 (5), 2469-2479, 2018 | 37 | 2018 |
| Non-covalent quantum machine learning corrections to density functionals PD Mezei, OA von Lilienfeld https://doi.org/10.1021/acs.jctc.0c00181, 2020 | 34 | 2020 |
| Accurate, Precise, and Efficient Theoretical Methods To Calculate Anion− π Interaction Energies in Model Structures PD Mezei, GI Csonka, A Ruzsinszky, J Sun Journal of chemical theory and computation 11 (1), 360-371, 2014 | 33 | 2014 |
| Construction of a spin-component scaled dual-hybrid random phase approximation PD Mezei, GI Csonka, A Ruzsinszky, M Kállay Journal of Chemical Theory and Computation 13 (2), 796-803, 2017 | 27 | 2017 |
| Accurate Diels–Alder Reaction Energies from Efficient Density Functional Calculations PD Mezei, GI Csonka, M Kállay Journal of chemical theory and computation 11 (6), 2879-2888, 2015 | 23 | 2015 |
| Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry JE Bates, PD Mezei, GI Csonka, J Sun, A Ruzsinszky Journal of chemical theory and computation 13 (1), 100-109, 2016 | 21 | 2016 |
| Why Density Functionals Should Not Be Judged Primarily by Atomization Energies JP Perdew, J Sun, A Ruzsinszky, PD Mezei, GI Csonka Periodica Polytechnica Chemical Engineering 60 (1), 2-7, 2015 | 17 | 2015 |
| Oxygen reduction reaction on TiO2 rutile (110) surface in the presence of bridging hydroxyl groups Á Ganyecz, PD Mezei, M Kállay Computational and Theoretical Chemistry, 2019 | 12 | 2019 |
| Construction of a range-separated dual-hybrid direct random phase approximation PD Mezei, M Kállay Journal of Chemical Theory and Computation, 2019 | 12 | 2019 |
| Reducing the many-electron self-interaction error in the second-order screened exchange method PD Mezei, A Ruzsinszky, M Kállay Journal of Chemical Theory and Computation, 2019 | 10 | 2019 |
| Accurate Complete Basis Set Extrapolation of Direct Random Phase Correlation Energies PD Mezei, GI Csonka, A Ruzsinszky Journal of chemical theory and computation 11 (8), 3961-3967, 2015 | 10 | 2015 |
| Application of a Dual-Hybrid Direct Random Phase Approximation to Water Clusters PD Mezei, A Ruzsinszky, GI Csonka Journal of Chemical Theory and Computation 12 (9), 4222-4232, 2016 | 9 | 2016 |
| Features of the interactions between the methyl-CpG motif and the arginine residues on the surface of MBD proteins PD Mezei, GI Csonka Structural Chemistry 27 (4), 1317-1326, 2016 | 6 | 2016 |
| Unified picture for the conformation and stabilization of the O-glycosidic linkage in glycopeptide model structures PD Mezei, GI Csonka Structural Chemistry 26 (5-6), 1367-1376, 2015 | 5 | 2015 |
| Conformational properties of propargyloxy-calix [4] arene tricarboxamides: NMR and DFT studies on the O-through-the-annulus rotation JB Czirok, Á Tarcsay, PD Mezei, A Simon, L Balázs, I Bitter Supramolecular Chemistry 26 (10-12), 722-728, 2014 | 3 | 2014 |
| Non-covalent interactions between molecular dimers (S66) in electric fields M Schwilk, PD Mezei, DN Tahchieva, OA von Lilienfeld Electronic Structure 4 (1), 014005, 2022 | 1 | 2022 |
Gábor I. CsonkaProfessor of Chemistry, Adjunct Prof., Temple, and TulaneZweryfikowany adres z mail.bme.hu