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Amir Karton
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2020 – today
- 2022
- [j12]Asja A. Kroeger, Amir Karton:
Graphene-induced planarization of cyclooctatetraene derivatives. J. Comput. Chem. 43(2): 96-105 (2022) - [j11]Asja A. Kroeger, Amir Karton:
Cover Image. J. Comput. Chem. 43(2): i (2022) - [j10]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): 1394-1402 (2022) - 2021
- [j9]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): 222-230 (2021) - [j8]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): 1590-1601 (2021) - 2020
- [j7]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): 328-339 (2020)
2010 – 2019
- 2019
- [j6]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): 630-637 (2019) - 2017
- [j5]Farzaneh Sarrami, Li-Juan Yu, Amir Karton:
Computational design of bio-inspired carnosine-based HOBr antioxidants. J. Comput. Aided Mol. Des. 31(10): 905-913 (2017) - [j4]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): 370-382 (2017) - [j3]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): 2063-2075 (2017) - 2016
- [j2]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): 49-58 (2016) - 2015
- [j1]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): 622-632 (2015)
Coauthor Index
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