Publications

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HERDC Category:  C1 Refereed Article in a Scholarly Journal
Author:  Thimmakondu, Venkatesan S

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Publication DateTitleAuthor(s)Date Added
12-Sep-2023CCSD(T) Rotational Constants for Highly Challenging C5H2 Isomers—A Comparison between Theory and ExperimentThimmakondu, Venkatesan S; Karton, Amir 19-Apr-2024
228-Apr-2022From Molecules with a Planar Tetracoordinate Carbon to an Astronomically Known C5H2 CarbeneKarton, Amir ; Thimmakondu, Venkatesan S12-Sep-2023
36-Feb-2020Theoretical Studies of SiC4H2 Isomers Delineate Three Low-Lying Silylidenes Are Missing in the LaboratoryJob, Nisha; Karton, Amir ; Thirumoorthy, Krishnan; Cooksy, Andrew L; Thimmakondu, Venkatesan S14-Mar-2022
41-Aug-2019Theoretical Studies of Two Key Low-Lying Carbenes of C5H2 Missing in the LaboratoryThimmakondu, Venkatesan S; Ulusoy, Inga; Wilson, Angela K; Karton, Amir 24-Mar-2022
521-Nov-2018From High-Energy C7H2 Isomers with A Planar Tetracoordinate Carbon Atom to An Experimentally Known CarbeneThirumoorthy, Krishnan; Karton, Amir ; Thimmakondu, Venkatesan S20-Mar-2022
614-Nov-2018The quest for the carbene bent-pentadiynylidene isomer of C5H2Thimmakondu, Venkatesan S; Karton, Amir 18-Mar-2022
716-Aug-2018CCSDT(Q)/CBS thermochemistry for the D-5h -> D-10h isomerization in the C-10 carbon cluster: Getting the right answer for the right reasonKarton, Amir ; Thimmakondu, Venkatesan S18-Mar-2022
821-Jul-2017Energetic and spectroscopic properties of the low-lying C7H2 isomers: a high-level ab initio perspectiveThimmakondu, Venkatesan S; Karton, Amir 17-Mar-2022

Credit Name
Amir Karton
Full Name
Karton, Amir
Variants
Karton, A
 
UNE Researcher ID
une-id:akarton
 
Position Title
Professor in Physical/Materials Chemistry
 
 
 
Other emails
 
Google Scholar profile key
ogleADAAAAAJ
Scopus Author ID
Clarivate Researcher ID
 
Biography
Professor Amir Karton leads the quantum chemistry group at the School of Science and Technology at the University of New England (Web: www.chemtheorist.com; Twitter: @CompQuantumChem). The research in Prof. Karton’s group is highly interdisciplinary and lies at the interface of materials, biology, physics, and chemistry. His group develops quantum chemical theories to calculate highly accurate chemical properties and then applies these theories to problems of chemical structure, mechanism, and design. Prof. Karton’s applied studies range from nanochemistry to biochemistry. Including the computational design of super-thin, 2D functional materials for energy storage, molecular separation, and green catalysis applications, the computational design of small bioactive molecules, and highly accurate simulations of atmospheric and astrochemical reactions. His research group employs a range of computational techniques including machine-learning force fields, density functional theory, and ab initio quantum chemical methods. At UNE, Prof. Karton's research is focused on developing nanotechnology solutions for energy conversion and storage. This research is well-aligned with the United Nations Sustainable Development Goal of affordable and clean energy, ensuring access to energy for all. Prof. Karton’s research has been recognized by the Royal Australian Chemical Institute (RACI) Citation Award (2021), American Chemical Society (ACS) PHYS Division Lectureship Award (2020), RACI Physical Chemistry Lectureship (2019), and Le Fèvre Medal from the Australian Academy of Science (2018).
 
Discipline
School of S&T - Chemistry
 
Faculty
Faculty of Science, Ag, Business and Law
Surname
Karton
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Given Name
Amir
 
School/Department
School of Science and Technology
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