Amir Karton

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2025 J jnl
Accurate and scalable exchange-correlation with deep learning.
CoRR
Giulia Luise, Chin-Wei Huang, Thijs Vogels, Derk P. Kooi, Sebastian Ehlert, Stephanie Lanius, Klaas J. H. Giesbertz, Amir Karton, Deniz Gunceler, Megan Stanley, Wessel P. Bruinsma, Lin Huang, Xinran Wei, José Garrido Torres, Abylay Katbashev, Rodrigo Chavez Zavaleta, Bálint Máté, Sékou-Oumar Kaba, Roberto Sordillo, Yingrong Chen, David B. Williams-Young, Christopher M. Bishop, Jan Hermann, Rianne van den Berg, Paola Gori-Giorgi
2022 J jnl
Assessment of DLPNO-CCSD(T)-F12 and its use for the formulation of the low-cost and reliable L-W1X composite method.
J. Comput. Chem.
Bun Chan, Amir Karton
2022 J jnl
Cover Image.
J. Comput. Chem.
Asja A. Kroeger, Amir Karton
2022 J jnl
Graphene-induced planarization of cyclooctatetraene derivatives.
J. Comput. Chem.
Asja A. Kroeger, Amir Karton
2021 J jnl
Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structures.
J. Comput. Chem.
Amir Karton, Peter R. Spackman
2021 J jnl
Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic-type reactions.
J. Comput. Chem.
Simone L. Waite, Amir Karton, Bun Chan, Alister J. Page
2020 J jnl
Kinetics and Thermodynamics of Reactions Involving Criegee Intermediates: An Assessment of Density Functional Theory and Ab Initio Methods Through Comparison with CCSDT(Q)/CBS Data.
J. Comput. Chem.
Cameron D. Smith, Amir Karton
2019 J jnl
A computational foray into the mechanism and catalysis of the adduct formation reaction of guanine with crotonaldehyde.
J. Comput. Chem.
Asja A. Kroeger, Amir Karton
2017 J jnl
Computational design of bio-inspired carnosine-based HOBr antioxidants.
J. Comput. Aided Mol. Des.
Farzaneh Sarrami, Li-Juan Yu, Amir Karton
2017 J jnl
How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder.
J. Comput. Chem.
Amir Karton
2017 J jnl
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.
J. Comput. Chem.
Amir Karton, Nitai Sylvetsky, Jan M. L. Martin
2016 J jnl
Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures.
J. Comput. Chem.
Amir Karton, Peter R. Schreiner, Jan M. L. Martin
2015 J jnl
Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies.
J. Comput. Chem.
Amir Karton, Lars Goerigk