Pál Dániel Mezei
Pál Dániel Mezei
Postdoctoral Associate - University of Basel
Verified email at mail.bme.hu
Title
Cited by
Cited by
Year
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
1662016
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
452015
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
262014
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
212017
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
172017
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
162015
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
142016
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
132015
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
112018
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
92020
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
92015
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
72016
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
52016
Non-covalent quantum machine learning corrections to density functionals
PD Mezei, OA von Lilienfeld
https://doi.org/10.1021/acs.jctc.0c00181, 2020
42020
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
32015
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
32014
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
22019
Construction of a range-separated dual-hybrid direct random phase approximation
PD Mezei, M Kállay
Journal of Chemical Theory and Computation, 2019
22019
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
12019
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Articles 1–19