Noncovalent Quantum Machine Learning Corrections to Density Functionals
Mezei, Pál D, von Lilienfeld, O. Anatole
Published in Journal of chemical theory and computation (14.04.2020)
Published in Journal of chemical theory and computation (14.04.2020)
Get full text
Journal Article
Construction of a Range-Separated Dual-Hybrid Direct Random Phase Approximation
Mezei, Pál D, Kállay, Mihály
Published in Journal of chemical theory and computation (10.12.2019)
Published in Journal of chemical theory and computation (10.12.2019)
Get full text
Journal Article
Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional
Mezei, Pál D, Csonka, Gábor I, Kállay, Mihály
Published in Journal of chemical theory and computation (08.05.2018)
Published in Journal of chemical theory and computation (08.05.2018)
Get full text
Journal Article
Application of a Dual-Hybrid Direct Random Phase Approximation to Water Clusters
Mezei, Pál D, Ruzsinszky, Adrienn, Csonka, Gábor I
Published in Journal of chemical theory and computation (13.09.2016)
Published in Journal of chemical theory and computation (13.09.2016)
Get full text
Journal Article
Accurate Complete Basis Set Extrapolation of Direct Random Phase Correlation Energies
Mezei, Pál D, Csonka, Gábor I, Ruzsinszky, Adrienn
Published in Journal of chemical theory and computation (11.08.2015)
Published in Journal of chemical theory and computation (11.08.2015)
Get full text
Journal Article
Accurate Diels–Alder Reaction Energies from Efficient Density Functional Calculations
Mezei, Pál D, Csonka, Gábor I, Kállay, Mihály
Published in Journal of chemical theory and computation (09.06.2015)
Published in Journal of chemical theory and computation (09.06.2015)
Get full text
Journal Article
Non-covalent interactions between molecular dimers (S66) in electric fields
Schwilk, Max, Mezei, Pál D, Tahchieva, Diana N, von Lilienfeld, O Anatole
Published in Electronic Structure (01.03.2022)
Published in Electronic Structure (01.03.2022)
Get full text
Journal Article
The MRCC program system: Accurate quantum chemistry from water to proteins
Kállay, Mihály, Nagy, Péter R, Mester, Dávid, Rolik, Zoltán, Samu, Gyula, Csontos, József, Csóka, József, Szabó, P Bernát, Gyevi-Nagy, László, Hégely, Bence, Ladjánszki, István, Szegedy, Lóránt, Ladóczki, Bence, Petrov, Klára, Farkas, Máté, Mezei, Pál D, Ganyecz, Ádám
Published in The Journal of chemical physics (21.02.2020)
Published in The Journal of chemical physics (21.02.2020)
Get more information
Journal Article
Construction and Application of a New Dual-Hybrid Random Phase Approximation
Mezei, Pál D, Csonka, Gábor I, Ruzsinszky, Adrienn, Kállay, Mihály
Published in Journal of chemical theory and computation (13.10.2015)
Published in Journal of chemical theory and computation (13.10.2015)
Get full text
Journal Article
Conformational properties of propargyloxy-calix[4]arene tricarboxamides: NMR and DFT studies on the O-through-the-annulus rotation
Czirok, János B., Tarcsay, Ákos, Mezei, Pál D., Simon, András, Balázs, László, Bitter, István
Published in Supramolecular chemistry (02.12.2014)
Published in Supramolecular chemistry (02.12.2014)
Get full text
Journal Article
Construction of a Spin-Component Scaled Dual-Hybrid Random Phase Approximation
Mezei, Pál D, Csonka, Gábor I, Ruzsinszky, Adrienn, Kállay, Mihály
Published in Journal of chemical theory and computation (14.02.2017)
Published in Journal of chemical theory and computation (14.02.2017)
Get full text
Journal Article
Oxygen reduction reaction on TiO2 rutile (1 1 0) surface in the presence of bridging hydroxyl groups
Ganyecz, Ádám, Mezei, Pál D., Kállay, Mihály
Published in Computational and theoretical chemistry (15.11.2019)
Published in Computational and theoretical chemistry (15.11.2019)
Get full text
Journal Article
Non-covalent interactions between molecular dimers (S66) in electric fields
Schwilk, Max, Mezei, Pál D, Tahchieva, Diana N, von Lilienfeld, O. Anatole
Year of Publication 30.09.2021
Year of Publication 30.09.2021
Get full text
Journal Article