Amir Karton

Publication Activity (10 Years)

Years Active: 2015-2022
Publications (10 Years): 11

Top Topics

Generalization Error Bounds

Discrete Fourier Transform

Large Deviations

Top Venues

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

Asja A. Kroeger, Amir Karton
Graphene-induced planarization of cyclooctatetraene derivatives. J. Comput. Chem. 43 (2) (2022)
Bun Chan, Amir Karton
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. 43 (21) (2022)
Asja A. Kroeger, Amir Karton
Cover Image. J. Comput. Chem. 43 (2) (2022)
Amir Karton, Peter R. Spackman
Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structures. J. Comput. Chem. 42 (22) (2021)
Simone L. Waite, Amir Karton, Bun Chan, Alister J. Page
Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic-type reactions. J. Comput. Chem. 42 (4) (2021)
Cameron D. Smith, Amir Karton
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. 41 (4) (2020)
Asja A. Kroeger, Amir Karton
A computational foray into the mechanism and catalysis of the adduct formation reaction of guanine with crotonaldehyde. J. Comput. Chem. 40 (4) (2019)
Amir Karton
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. 38 (6) (2017)
Farzaneh Sarrami, Li-Juan Yu, Amir Karton
Computational design of bio-inspired carnosine-based HOBr antioxidants. J. Comput. Aided Mol. Des. 31 (10) (2017)
Amir Karton, Nitai Sylvetsky, Jan M. L. Martin
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods. J. Comput. Chem. 38 (24) (2017)
Amir Karton, Peter R. Schreiner, Jan M. L. Martin
Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures. J. Comput. Chem. 37 (1) (2016)
Amir Karton, Lars Goerigk
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. 36 (9) (2015)