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  • Amir Karton
2019

G4(MP2)-XK: A Variant of the G4(MP2)-6X Composite Method with Expanded Applicability for Main-Group Elements up to Radon

Chan, B., Karton, A. & Raghavachari, K., 13 Aug 2019, In : Journal of Chemical Theory and Computation. 15, 8, p. 4478-4484 7 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
2018

MVO-10: A Gas-Phase Oxide Benchmark for Localization/Delocalization in Mixed-Valence Systems

Klawohn, S., Kaupp, M. & Karton, A., 10 Jul 2018, In : Journal of Chemical Theory and Computation. 14, 7, p. 3512-3523 12 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
2019

Spontaneous shape and phase control of colloidal ZnSe nanocrystals by tailoring Se precursor reactivity

Chen, W., Karton, A., Hussian, T., Javaid, S., Wang, F., Pang, Y. & Jia, G., 14 May 2019, In : CrystEngComm. 21, 18, p. 2955-2961 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
2018

Graphitic carbon nitride nano sheets functionalized with selected transition metal dopants: An efficient way to store CO2

Hussain, T., Vovusha, H., Kaewmaraya, T., Karton, A., Amornkitbamrung, V. & Ahuja, R., 6 Aug 2018, In : Nanotechnology. 29, 41, 415502.

Research output: Contribution to journalArticle

9 Citations (Scopus)
2019
2018
9 Citations (Scopus)
2017
12 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

3 Citations (Scopus)

Sensitivity enhancement of stanene towards toxic SO2 and H2S

Vovusha, H., Hussain, T., Sajjad, M., Lee, H., Karton, A., Ahuja, R. & Schwingenschlögl, U., 30 Nov 2019, In : Applied Surface Science. 495, 143622.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Macromolecular approach for targeted radioimmunotherapy in non-Hodgkin's lymphoma

Hee, C., Ho, D., Karton, A., Nealon, G., Kretzmann, J. A., Norret, M. & Iyer, K. S., 1 Jan 2019, In : Chemical Communications. 55, 96, p. 14506-14509 4 p.

Research output: Contribution to journalArticle

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)
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
14 Citations (Scopus)

A Computational Foray into the Mechanism and Catalysis of the Adduct Formation Reaction of Guanine with Crotonaldehyde

Kroeger, A. A. & Karton, A., 5 Feb 2019, In : Journal of Computational Chemistry. 40, 4, p. 630-637 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
2016
Open Access
File
8 Citations (Scopus)
177 Downloads (Pure)
2017

Sulphuric acid-catalysed formation of hemiacetal from glyoxal and ethanol

Sarrami, F., Yu, L. J., Wan, W. & Karton, A., 1 May 2017, In : Chemical Physics Letters. 675, p. 27-34 8 p.

Research output: Contribution to journalArticle

5 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)
115 Downloads (Pure)
2017

W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods

Karton, A., Sylvetsky, N. & Martin, J. M. L., 15 Sep 2017, In : Journal of Computational Chemistry. 38, 24, p. 2063-2075 13 p.

Research output: Contribution to journalArticle

41 Citations (Scopus)

Computational insights for the hydride transfer and distinctive roles of key residues in cholesterol oxidase

Yu, L., Golden, E. A., Chen, N., Zhao, Y., Vrielink, A. & Karton, A., 8 Dec 2017, In : Scientific Reports. 7, 13 p., 17265.

Research output: Contribution to journalArticle

Open Access
4 Citations (Scopus)
2019

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

2018
2 Citations (Scopus)
2017

Stability of the chlorinated derivatives of the DNA/RNA nucleobases, purine and pyrimidine toward radical formation via homolytic CCl bond dissociation

Kaliyeva, L., Zhumagali, S., Akhmetova, N., Karton, A. & O'Reilly, R. J., 15 Feb 2017, In : International Journal of Quantum Chemistry. 117, 4, e25319.

Research output: Contribution to journalArticle

Open Access
File
6 Citations (Scopus)
162 Downloads (Pure)
2020

Functionalized Two-Dimensional Nanoporous Graphene as Efficient Global Anode Materials for Li-, Na-, K-, Mg-, and Ca-Ion Batteries

Hussain, T., Olsson, E., Alhameedi, K., Cai, Q. & Karton, A., 7 May 2020, In : Journal of Physical Chemistry C. 124, 18, p. 9734-9745 12 p.

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)
2018

Accurate Thermochemical and Kinetic Stabilities of C84 Isomers

Waite, S. L., Chan, B., Karton, A. & Page, A. J., 24 May 2018, In : Journal of Physical Chemistry A. 122, 20, p. 4768-4777 10 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)
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

7 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

15 Citations (Scopus)

Dy3Al2(AlO4)3 ceramic nanogarnets: Sol-gel auto-combustion synthesis, characterization and joint experimental and computational structural analysis for electrochemical hydrogen storage performances

Salehabadi, A., Sarrami Foroushani, F., Salavati-Niasari, M., Gholami, T., Spagnoli, D. & Karton, A., 5 May 2018, In : Journal of Alloys & Compounds. 744, p. 574-582 8 p.

Research output: Contribution to journalArticle

26 Citations (Scopus)
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
2019

Efficient and selective sensing of nitrogen-containing gases by Si 2 BN nanosheets under pristine and pre-oxidized conditions

Hussain, T., Singh, D., Gupta, S. K., Karton, A., Sonvane, Y. & Ahuja, R., 1 Mar 2019, In : Applied Surface Science. 469, p. 775-780 6 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
2020

Sensing of volatile organic compounds on two-dimensional nitrogenated holey graphene, graphdiyne, and their heterostructure

Hussain, T., Sajjad, M., Singh, D., Bae, H., Lee, H., Larsson, J. A., Ahuja, R. & Karton, A., 15 Aug 2020, In : Carbon. 163, p. 213-223 11 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
2016

To bridge or not to bridge: The role of sulfuric acid in the Beckmann rearrangement

Lin, C. R., Yu, L. J., Li, S. & Karton, A., 16 Aug 2016, In : Chemical Physics Letters. 659, p. 100-104

Research output: Contribution to journalArticle

Open Access
File
5 Citations (Scopus)
149 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
6 Citations (Scopus)

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
50 Citations (Scopus)
2018

From High-Energy C7H2 Isomers with A Planar Tetracoordinate Carbon Atom to An Experimentally Known Carbene

Thirumoorthy, K., Karton, A. & Thimmakondu, V. S., 21 Nov 2018, In : Journal of Physical Chemistry A. 122, 46, p. 9054-9064 11 p.

Research output: Contribution to journalArticle

Open Access
File
8 Citations (Scopus)
71 Downloads (Pure)

A Computational Investigation of the Uncatalysed and Water-Catalysed Acyl Rearrangements in Ingenol Esters

Kroeger, A. A. & Karton, A., 1 Jan 2018, In : Australian Journal of Chemistry. 71, 4, p. 212-221 10 p.

Research output: Contribution to journalArticle

Open Access
File
3 Citations (Scopus)
101 Downloads (Pure)
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

1 Citation (Scopus)
2018

Post-CCSD(T) contributions to total atomization energies in multireference systems

Karton, A., 21 Jul 2018, In : Journal of Chemical Physics. 149, 3, 034102.

Research output: Contribution to journalArticle

Open Access
File
6 Citations (Scopus)
101 Downloads (Pure)
2016
Open Access
File
7 Citations (Scopus)
147 Downloads (Pure)