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Author

  • Amir Karton
2016
97 Citations (Scopus)
2020

Moiré patterns arising from bilayer graphone/graphene superlattice

Li, H., Papadakis, R., Hussain, T., Karton, A. & Liu, J., 1 Apr 2020, In : Nano Research. 13, 4, p. 1060-1064 5 p.

Research output: Contribution to journalArticle

Open Access

Reactive Compression Molding Post-Inverse Vulcanization: A Method to Assemble, Recycle, and Repurpose Sulfur Polymers and Composites

Lundquist, N. A., Tikoalu, A. D., Worthington, M. J. H., Shapter, R., Tonkin, S. J., Stojcevski, F., Mann, M., Gibson, C. T., Gascooke, J. R., Karton, A., Henderson, L. C., Esdaile, L. J. & Chalker, J. M., 6 Aug 2020, In : Chemistry - A European Journal. 26, 44, p. 10035-10044 10 p.

Research output: Contribution to journalArticle

2012

Assessment of Theoretical Procedures for Calculating Barrier Heights for a Diverse Set of Water-Catalyzed Proton-Transfer Reactions

Karton, A., O’reilly, R. J. & Radom, L., 2012, In : Journal of Physical Chemistry A. 116, p. 4211−4221

Research output: Contribution to journalArticle

58 Citations (Scopus)
2015

Estimating the CCSD basis-set limit energy from small basis sets: Basis-set extrapolations vs additivity schemes

Spackman, P. & Karton, A., May 2015, In : AIP Advances. 5, 5, 12 p., 057148.

Research output: Contribution to journalArticle

Open Access
File
9 Citations (Scopus)
227 Downloads (Pure)
2019
2018
Open Access
File
2 Citations (Scopus)
16 Downloads (Pure)

Mechanistic insights into the water-catalysed ring-opening reaction of vitamin E by means of double-hybrid density functional theory

Sarrami, F., Kroeger, A. A. & Karton, A., 16 Sep 2018, In : Chemical Physics Letters. 708, p. 123-129 7 p.

Research output: Contribution to journalArticle

File
1 Citation (Scopus)

Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds

Alhameedi, K., Karton, A., Jayatilaka, D. & Thomas, S., Sep 2018, In : IUCrJ. 5, 5, p. 635-646

Research output: Contribution to journalArticle

Open Access
8 Citations (Scopus)
2016
Open Access
File
8 Citations (Scopus)
164 Downloads (Pure)
2019

Metal functionalized inorganic nano-sheets as promising materials for clean energy storage

Alhameedi, K., Karton, A., Jayatilaka, D. & Hussain, T., 31 Mar 2019, In : Applied Surface Science. 471, p. 887-892 6 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
2018

The High Performance of Choline Arginate for Biomass Pretreatment Is Due to Remarkably Strong Hydrogen Bonding by the Anion

Karton, A., Brunner, M., Howard, M. J., Warr, G. G. & Atkin, R., 5 Mar 2018, In : ACS Sustainable Chemistry and Engineering. 6, 3, p. 4115-4121 7 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
2017

Energetic and spectroscopic properties of the low-lying C7H2 isomers: A high-level Ab initio perspective

Thimmakondu, V. S. & Karton, A., 21 Jul 2017, In : Physical Chemistry Chemical Physics. 19, 27, p. 17685-17697 13 p.

Research output: Contribution to journalArticle

Open Access
9 Citations (Scopus)
2020

Criegee intermediate decomposition pathways for the formation of o-toluic acid and 2-methylphenylformate

Lakmuang, C., Kroeger, A. A. & Karton, A., Jun 2020, In : Chemical Physics Letters. 748, 137399.

Research output: Contribution to journalArticle

2019

Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism

Thomas, S. P., Grosjean, A., Flematti, G. R., Karton, A., Sobolev, A. N., Edwards, A. J., Piltz, R. O., Iversen, B. B., Koutsantonis, G. A. & Spackman, M. A., 22 Jul 2019, In : Angewandte Chemie - International Edition. 58, 30, p. 10255-10259 5 p.

Research output: Contribution to journalArticle

Open Access
1 Citation (Scopus)
2016

-, a Benchmark Gas-Phase Class II Mixed-Valence Radical Anion for the Evaluation of Quantum-Chemical Methods

Kaupp, M., Karton, A. & Bischoff, F. A., 2016, In : Journal of Chemical Theory and Computation. 12, 8, p. 3796-3806

Research output: Contribution to journalArticle

11 Citations (Scopus)
2014

Pinning the most stable HxCyOz isomers in space by means of high-level theoretical procedures

Karton, A. & Talbi, D., 3 Jun 2014, In : Chemical Physics. 436-437, p. 22-28 7 p.

Research output: Contribution to journalArticle

Open Access
File
22 Citations (Scopus)
202 Downloads (Pure)
2017

An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase

Golden, E., Yu, L. J., Meilleur, F., Blakeley, M. P., Duff, A. P., Karton, A. & Vrielink, A., 18 Jan 2017, In : Scientific Reports. 7, p. 12 12 p., 40517.

Research output: Contribution to journalArticle

Open Access
7 Citations (Scopus)
2013
10 Citations (Scopus)
2012

Heats of Formation for CrO, CrO2, and CrO3: An Extreme Challenge for Black-Box Composite Procedures

Chan, B., Karton, A., Raghavachari, K. & Radom, L., 11 Sep 2012, In : Journal of Chemical Theory and Computation. 8, 9, p. 3159–3166

Research output: Contribution to journalArticle

18 Citations (Scopus)
2013

Accurate quantum chemical energies for tetrapeptide conformations: Why MP2 data with an insufficient basis set should be handled with caution

Goerigk, L., Karton, A., Martin, J. M. L. & Radom, L., 21 May 2013, In : Physical Chemistry Chemical Physics. 15, 19, p. 7028-7031

Research output: Contribution to journalArticle

Open Access
50 Citations (Scopus)
2016

Can DFT and ab initiomethods describe all aspects of the potential energy surface of cycloreversion reactions?

Yu, L., Sarrami Foroushani, F., O'Reilly, R. J. & Karton, A., Jan 2016, In : Molecular Physics. 114, 1, p. 21-33

Research output: Contribution to journalArticle

Open Access
File
16 Citations (Scopus)
302 Downloads (Pure)
2020

The adsorption and migration behavior of divalent metals (Mg, Ca, and Zn) on pristine and defective graphene

Olsson, E., Hussain, T., Karton, A. & Cai, Q., 15 Aug 2020, In : Carbon. 163, p. 276-287 12 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
2016

Evaluation of the performance of MP4-based procedures for a wide range of thermochemical and kinetic properties

Yu, L., Wan, W. & Karton, A., 30 Nov 2016, In : Chemical Physics. 480, p. 23-35 13 p.

Research output: Contribution to journalArticle

Open Access
File
5 Citations (Scopus)
136 Downloads (Pure)
2017

Proton enhanced dynamic battery chemistry for aprotic lithium-oxygen batteries

Zhu, Y. G., Liu, Q., Rong, Y., Chen, H., Yang, J., Jia, C., Yu, L. J., Karton, A., Ren, Y., Xu, X., Adams, S. & Wang, Q., 6 Feb 2017, In : Nature Communications. 8, 14308.

Research output: Contribution to journalArticle

Open Access
53 Citations (Scopus)
2020

Potassium Poly(Heptazine Imide): Transition Metal-Free Solid-State Triplet Sensitizer in Cascade Energy Transfer and [3+2]-cycloadditions

Savateev, A., Tarakina, N. V., Strauss, V., Hussain, T., ten Brummelhuis, K., Sánchez Vadillo, J. M., Markushyna, Y., Mazzanti, S., Tyutyunnik, A. P., Walczak, R., Oschatz, M., Guldi, D. M., Karton, A. & Antonietti, M., 24 Aug 2020, In : Angewandte Chemie - International Edition. 59, 35, p. 15061-15068 8 p.

Research output: Contribution to journalArticle

Open Access
1 Citation (Scopus)
2017

Bioinspired graphene membrane with temperature tunable channels for water gating and molecular separation

Liu, J., Wang, N., Yu, L. J., Karton, A., Li, W., Zhang, W., Guo, F., Hou, L., Cheng, Q., Jiang, L., Weitz, D. A. & Zhao, Y., 1 Dec 2017, In : Nature Communications. 8, 1, 2011.

Research output: Contribution to journalArticle

Open Access
67 Citations (Scopus)
2019

Theoretical Studies of Two Key Low-Lying Carbenes of C5H2 Missing in the Laboratory

Thimmakondu, V. S., Ulusoy, I., Wilson, A. K. & Karton, A., 1 Aug 2019, In : The journal of physical chemistry. A. 123, 30, p. 6618-6627 10 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
2020

Benchmark study of DFT and composite methods for bond dissociation energies in argon compounds

Yu, L. J., Dale, S. G., Chan, B. & Karton, A., 1 Mar 2020, In : Chemical Physics. 531, 110676.

Research output: Contribution to journalArticle

1 Citation (Scopus)
2019

Toward Improved Performance of All-Organic Nitroxide Radical Batteries with Ionic Liquids: A Theoretical Perspective

Wylie, L., Oyaizu, K., Karton, A., Yoshizawa-Fujita, M. & Izgorodina, E. I., 4 Mar 2019, In : ACS Sustainable Chemistry and Engineering. 7, 5, p. 5367-5375 17 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2018

The S66 Non-Covalent Interactions Benchmark Reconsidered Using Explicitly Correlated Methods Near the Basis Set Limit

Kesharwani, M. K., Karton, A., Sylvetsky, N. & Martin, J. M. L., 1 Jan 2018, In : Australian Journal of Chemistry. 71, 4, p. 238-248 11 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)
2020

Theoretical Studies of SiC4H2 Isomers Delineate Three Low-Lying Silylidenes Are Missing in the Laboratory

Job, N., Karton, A., Thirumoorthy, K., Cooksy, A. L. & Thimmakondu, V. S., 6 Feb 2020, In : Journal of Physical Chemistry A. 124, 5, p. 987-1002 16 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
2016

Thermochemistry of icosahedral closo-dicarboranes: A composite ab initio quantum-chemical perspective

Sarrami, F., Yu, L-J. & Karton, A., Dec 2016, In : Canadian Journal of Chemistry. 94, 12, p. 1082-1089 8 p.

Research output: Contribution to journalArticle

Open Access
File
2 Citations (Scopus)
195 Downloads (Pure)
2020

Chemically induced repair, adhesion, and recycling of polymers made by inverse vulcanization

Tonkin, S. J., Gibson, C. T., Campbell, J. A., Lewis, D. A., Karton, A., Hasell, T. & Chalker, J. M., 7 Jun 2020, In : Chemical Science. 11, 21, p. 5537-5546 10 p.

Research output: Contribution to journalArticle

Open Access
1 Citation (Scopus)
2019

Blue phosphorene monolayers as potential nano sensors for volatile organic compounds under point defects

Sun, S., Hussain, T., Zhang, W. & Karton, A., 30 Aug 2019, In : Applied Surface Science. 486, p. 52-57 6 p.

Research output: Contribution to journalArticle

34 Citations (Scopus)
2013

Evaluation of the Heats of Formation of Corannulene and C60 by Means of High-Level Theoretical Procedures

Karton, A., Chan, B., Raghavachari, K. & Radom, L., 28 Feb 2013, In : Journal of Physical Chemistry A. 117, 8, p. 1834-1842

Research output: Contribution to journalArticle

30 Citations (Scopus)
2018

Can Popular DFT Approximations and Truncated Coupled Cluster Theory Describe the Potential Energy Surface of the Beryllium Dimer?

Karton, A. & McKemmish, L. K., 1 Jan 2018, In : Australian Journal of Chemistry. 71, 10, p. 804-810 7 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
2016
22 Citations (Scopus)
2011

Effect of Substituents on the Strength of N—X (X = H, F, and Cl) Bond Dissociation Energies: A High-Level Quantum Chemical Study

O’Reilly, R. J., Karton, A. & Radom, L., 2 Jun 2011, In : Journal of Physical Chemistry A. 115, 21, p. 5496-5504

Research output: Contribution to journalArticle

23 Citations (Scopus)
2019

Performance of DFT for C60 Isomerization Energies: A Noticeable Exception to Jacob's Ladder

Karton, A., Waite, S. L. & Page, A. J., 1 Oct 2019, In : Journal of Physical Chemistry A. 123, 1, p. 257-266 10 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Thermochemistry of phosphorus sulfide cages: an extreme challenge for high-level ab initio methods

Kroeger, A. A. & Karton, A., 27 May 2019, In : Structural Chemistry.

Research output: Contribution to journalArticle

2016

Parapheromones for Thynnine Wasps

Bohman, B., Karton, A., Dixon, R. C. M., Barrow, R. A. & Peakall, R., Jan 2016, In : Journal of Chemical Ecology. 42, 1, p. 17-23

Research output: Contribution to journalArticle

8 Citations (Scopus)
2017

Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6⋯C2Xn π–π complexes?

Vamhindi, B. S. D. R. & Karton, A., 17 Aug 2017, In : Chemical Physics. 493, p. 12-19 8 p.

Research output: Contribution to journalArticle

2019

Heterologous biosynthesis of elsinochrome A sheds light on the formation of the photosensitive perylenequinone system

Hu, J., Sarrami, F., Li, H., Zhang, G., Stubbs, K. A., Lacey, E., Stewart, S. G., Karton, A., Piggott, A. M. & Chooi, Y-H., 7 Feb 2019, In : Chemical Science. 10, 5, p. 1457-1465 9 p.

Research output: Contribution to journalArticle

Open Access
17 Citations (Scopus)
2016
Open Access
File
10 Citations (Scopus)
206 Downloads (Pure)
2018
10 Citations (Scopus)
2013

A simple DFT-based diagnostic for nondynamical correlation

Fogueri, U. R., Kozuch, S., Karton, A. & Martin, J. M. L., Jan 2013, In : Theoretical Chemistry Accounts. 132, p. 1291

Research output: Contribution to journalArticle

39 Citations (Scopus)
2020
Open Access
2018

Drastic Improvement in Gas-Sensing Characteristics of Phosphorene Nanosheets under Vacancy Defects and Elemental Functionalization

Kaewmaraya, T., Ngamwongwan, L., Moontragoon, P., Karton, A. & Hussain, T., 6 Sep 2018, In : Journal of Physical Chemistry C. 122, 35, p. 20186-20193 8 p.

Research output: Contribution to journalArticle

Open Access
File
18 Citations (Scopus)
120 Downloads (Pure)