| The MRCC program system: Accurate quantum chemistry from water to proteins M Kállay, PR Nagy, D Mester, Z Rolik, G Samu, J Csontos, J Csóka, ... The Journal of chemical physics 152 (7), 2020 | 299 | 2020 |
| Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions D Mester, PR Nagy, M Kállay The Journal of Chemical Physics 146 (19), 2017 | 58 | 2017 |
| Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments D Mester, PR Nagy, M Kállay The Journal of Chemical Physics 148 (9), 2018 | 49 | 2018 |
| A simple range-separated double-hybrid density functional theory for excited states D Mester, M Kallay Journal of Chemical Theory and Computation 17 (2), 927-942, 2021 | 43 | 2021 |
| Charge-Transfer Excitations within Density Functional Theory: How Accurate Are the Most Recommended Approaches? D Mester, M Kállay Journal of Chemical Theory and Computation 18 (3), 1646-1662, 2022 | 36 | 2022 |
| Spin-scaled range-separated double-hybrid density functional theory for excited states D Mester, M Kállay Journal of Chemical Theory and Computation 17 (7), 4211-4224, 2021 | 27 | 2021 |
| Combined density functional and algebraic-diagrammatic construction approach for accurate excitation energies and transition moments D Mester, M Kállay Journal of Chemical Theory and Computation 15 (8), 4440-4453, 2019 | 22 | 2019 |
| Adsorption of an active molecule on the surface of halloysite for controlled release application: interaction, orientation, consequences J Hári, P Polyák, D Mester, M Mičušík, M Omastová, M Kállay, ... Applied Clay Science 132, 167-174, 2016 | 21 | 2016 |
| Reduced-scaling correlation methods for the excited states of large molecules: Implementation and benchmarks for the second-order algebraic-diagrammatic construction approach D Mester, PR Nagy, M Kállay Journal of chemical theory and computation 15 (11), 6111-6126, 2019 | 20 | 2019 |
| Reduced-Scaling Approach for Configuration Interaction Singles and Time-Dependent Density Functional Theory Calculations Using Hybrid Functionals D Mester, M Kállay Journal of chemical theory and computation 15 (3), 1690-1704, 2019 | 16 | 2019 |
| Hydrogen bonding effects on the fluorescence properties of 4′-diethylamino-3-hydroxyflavone in water and water-acetone mixtures D Hessz, M Bojtár, D Mester, Z Szakács, I Bitter, M Kállay, M Kubinyi Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 203, 96-105, 2018 | 16 | 2018 |
| A study on the optical resolution of 1-isopropyl-3-methyl-3-phospholene 1-oxide and its use in the synthesis of borane and platinum complexes P Bagi, K Juhász, I Timári, KE Kövér, D Mester, M Kállay, M Kubinyi, ... Journal of Organometallic Chemistry 797, 140-152, 2015 | 16 | 2015 |
| Accurate spectral properties within double-hybrid density functional theory: a spin-scaled range-separated second-order algebraic-diagrammatic construction-based approach D Mester, M Kállay Journal of Chemical Theory and Computation 18 (2), 865-882, 2022 | 13 | 2022 |
| An uracil-linked hydroxyflavone probe for the recognition of ATP M Bojtár, PZ Janzsó-Berend, D Mester, D Hessz, M Kállay, M Kubinyi, ... Beilstein journal of organic chemistry 14 (1), 747-755, 2018 | 12 | 2018 |
| Unconventional bond functions for quantum chemical calculations D Mester, J Csontos, M Kállay Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts, 205-217, 2016 | 7 | 2016 |
| Performance of Multilevel Methods for Excited States B Hégely, ÁB Szirmai, D Mester, A Tajti, PG Szalay, M Kállay The Journal of Physical Chemistry A 126 (37), 6548-6557, 2022 | 6 | 2022 |
| Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level D Mester, M Kállay Journal of Chemical Theory and Computation 19 (13), 3982-3995, 2023 | 4 | 2023 |
| Double-Hybrid Density Functional Theory for Core Excitations: Theory and Benchmark Calculations D Mester, M Kállay Journal of Chemical Theory and Computation 19 (4), 1310-1321, 2023 | 4 | 2023 |
| Basis Set Limit of CCSD (T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction D Mester, M Kállay Journal of Chemical Theory and Computation 19 (22), 8210-8222, 2023 | 2 | 2023 |
| Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations D Mester, M Kállay Journal of Chemical Theory and Computation 19 (10), 2850-2862, 2023 | 1 | 2023 |
