Amir Karton | Scholar Profiles and Rankings

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Big data benchmarking: how do DFT methods across the rungs of Jacob's ladder perform for a dataset of 122k CCSD(T) total atomization energies? (journal article) Karton, Amir Physical Chemistry Chemical Physics, volume 26, issue 20, pages 14594-14606 (2024). 10.1039/D4CP00387J Cite \| Source
Tribute to Krishnan Raghavachari (journal article) Hratchian, Hrant P. \| Karton, Amir \| Mayhall, Nicholas J. The Journal of Physical Chemistry A, volume 128, issue 13, pages 2523-2525 (2024). 10.1021/acs.jpca.4c01320 Cite \| Source
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches (journal article) Semidalas, Emmanouil \| Karton, Amir \| Martin, Jan M. L. The Journal of Physical Chemistry A, volume 128, issue 9, pages 1715-1724 (2024). 10.1021/acs.jpca.3c08158 Cited by (2) \| Cite \| Source
Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane (journal article) Weh, Manuel \| Kroeger, Asja A. \| Anhalt, Olga \| Karton, Amir \| Würthner, Frank Chemical Science, volume 15, issue 2, pages 609-617 (2024). 10.1039/D3SC05341E Cited by (1) \| Cite \| Source
Graphene Catalysis Made Easy (book chapter) In Comprehensive Computational Chemistry Karton, Amir Elsevier (2024) 10.1016/B978-0-12-821978-2.00083-0 Cite \| Source
The influence of substituents in governing the strength of the P–X bonds of substituted halophosphines R1R2P–X (X = F and Cl) (journal article) O’Reilly, Robert J. \| Karton, Amir Frontiers in Chemistry, volume 11 (2023). 10.3389/fchem.2023.1283418 Cite \| Source
6‐Endo‐dig versus 5‐exo‐dig: Exploring Radical Cyclization Preference with First‐, Second‐, and Third‐row Linkers using High‐level Quantum Chemical Methods (journal article) Baroudi, Abdulkader \| Jaradat, Khaled \| Karton, Amir ChemPhysChem, volume 24, issue 17 (2023). 10.1002/cphc.202300426 Cite \| Source
CCSD(T) Rotational Constants for Highly Challenging C5H2 Isomers—A Comparison between Theory and Experiment (journal article) Thimmakondu, Venkatesan S. \| Karton, Amir Molecules, volume 28, issue 18, pages 6537- (2023). 10.3390/molecules28186537 Cite \| Source
Desymmetrization and Kinetic Resolution of Endoperoxides Using a Bifunctional Organocatalyst (journal article) Legendre, Sarah V. A.-M. \| Sumby, Christopher J. \| Karton, Amir \| Greatrex, Ben W. The Journal of Organic Chemistry, volume 88, issue 16, pages 11444-11449 (2023). 10.1021/acs.joc.3c00278 Cited by (2) \| Cite \| Source
PAH335 – A diverse database of highly accurate CCSD(T) isomerization energies of 335 polycyclic aromatic hydrocarbons (journal article) Karton, Amir \| Chan, Bun Chemical Physics Letters, volume 824 (2023). 10.1016/j.cplett.2023.140544 Cited by (3) \| Cite \| Source
Intramolecular Proton-Coupled Hydride Transfers with Relatively Low Activation Barriers (journal article) Karton, Amir \| Greatrex, Ben W. \| O’Reilly, Robert J. The Journal of Physical Chemistry A, volume 127, issue 27, pages 5713-5722 (2023). 10.1021/acs.jpca.3c03166 Cited by (1) \| Cite \| Source
π‐π Catalysis Made Asymmetric—Enantiomerization Catalysis Mediated by the Chiral π‐System of a Perylene Bisimide Cyclophane (journal article) Weh, Manuel \| Kroeger, Asja A. \| Shoyama, Kazutaka \| Grüne, Matthias \| Karton, Amir \| Würthner, Frank Angewandte Chemie, volume 135, issue 19 (2023). 10.1002/ange.202301301 Cited by (2) \| Cite \| Source
π‐π Catalysis Made Asymmetric—Enantiomerization Catalysis Mediated by the Chiral π‐System of a Perylene Bisimide Cyclophane (journal article) Weh, Manuel \| Kroeger, Asja A. \| Shoyama, Kazutaka \| Grüne, Matthias \| Karton, Amir \| Würthner, Frank Angewandte Chemie International Edition, volume 62, issue 19 (2023). 10.1002/anie.202301301 Cited by (9) \| Cite \| Source
Planarization of negatively curved [7]circulene on a graphene monolayer (journal article) Karton, Amir Chemical Physics, volume 569 (2023). 10.1016/j.chemphys.2023.111853 Cited by (3) \| Cite \| Source
Computational insights into the singlet–triplet energy gaps, ionization energies, and electron affinities for a diverse set of 812 small fullerenes (C20 –C50 ) (journal article) Chan, Bun \| Karton, Amir Physical Chemistry Chemical Physics, volume 25, issue 15, pages 10899-10906 (2023). 10.1039/D3CP01357J Cited by (1) \| Cite \| Source
Formation of distinct iron hydrides via mechanistic divergence in directed C–H Bond activation of aryl ketones, esters and amides (journal article) Garhwal, Subhash \| Panda, Jatin \| Fridman, Natalia \| Karton, Amir \| de Ruiter, Graham Chemical Communications, volume 59, issue 4, pages 426-429 (2023). 10.1039/D2CC04394G Cited by (1) \| Cite \| Source
‘Transformative’: the threshold learning outcomes for science (journal article) Schultz, Madeleine \| Southam, Daniel C. \| Buntine, Mark \| Colthorpe, Kay \| Howitt, Susan \| Johnson, Elizabeth \| Jones, Susan \| Kelder, Jo-Anne \| Kift, Sally \| Loughlin, Wendy A. \| ... \| Yucel, Robyn Australian Journal of Chemistry, volume 76, issue 12, pages 908-920 (2023). 10.1071/CH23137 Cited by (2) \| Cite \| Source
Electronic structure study of H3BXH3 (X═B, N and P) as hydrogen storage materials using calculated NMR and XPS spectra (journal article) Wang, Feng \| Chong, Delano P. Australian Journal of Chemistry, volume 76, issue 12, pages 854-863 (2023). 10.1071/CH23095 Cite \| Source
The life of Brian (journal article) Gill, Peter M. W. \| Karton, Amir Australian Journal of Chemistry, volume 76, issue 12, pages 821-824 (2023). 10.1071/CH23217 Cite \| Source
Highly accurate CCSD(T) homolytic Al–H bond dissociation enthalpies – chemical insights and performance of density functional theory (journal article) O’Reilly, Robert J. \| Karton, Amir Australian Journal of Chemistry, volume 76, issue 12, pages 837-846 (2023). 10.1071/CH23042 Cited by (1) \| Cite \| Source