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Chemistry

D-Index
62
Citations
12965
World Ranking
8878
National Ranking
208

Overview

Amir Karton is affiliated with the University of New England in Australia and has contributed extensively to the fields of Materials Science and Chemistry. Their research encompasses a wide range of topics including Materials Chemistry, Organic Chemistry, and Physical and Theoretical Chemistry, with additional focus on Atomic and Molecular Physics, and Electrical and Electronic Engineering.

Their work is published prominently in several key scientific journals. Frequent publication venues for Karton include:

  • The Cambridge Structural Database
  • The Journal of Physical Chemistry A
  • Journal of Computational Chemistry
  • Physical Chemistry Chemical Physics
  • Chemical Physics

Karton's research covers topics such as:

  • Advanced Chemical Physics Studies
  • Graphene research and applications
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Synthesis and Properties of Aromatic Compounds
  • Fullerene Chemistry and Applications
  • Machine Learning in Materials Science

Notable recent papers authored or co-authored by Karton include:

  • Chemically induced repair, adhesion, and recycling of polymers made by inverse vulcanization, 2020, Chemical Science
  • Potassium Poly(Heptazine Imide): Transition Metal-Free Solid-State Triplet Sensitizer in Cascade Energy Transfer and [3+2]-cycloadditions, 2020, Angewandte Chemie International Edition
  • Novel green phosphorene as a superior chemical gas sensing material, 2020, Journal of Hazardous Materials
  • Reactive Compression Molding Post-Inverse Vulcanization: A Method to Assemble, Recycle, and Repurpose Sulfur Polymers and Composites, 2020, Chemistry - A European Journal
  • Sensing of volatile organic compounds on two-dimensional nitrogenated holey graphene, graphdiyne, and their heterostructure, 2020, Carbon

Karton collaborates frequently with several researchers, including:

  • Asja A. Kroeger
  • Graham de Ruiter
  • Ranjeesh Thenarukandiyil
  • Bun Chan
  • Robert J. O'Reilly

Best Publications

  • Highly accurate first-principles benchmark data sets for the parametrization and validation of density functional and other approximate methods. Derivation of a robust, generally applicable, double-hybrid functional for thermochemistry and thermochemical kinetics.

    Amir Karton;Alex Tarnopolsky;Jean François Lamère;George C. Schatz

  • W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

    Amir Karton;Elena Rabinovich;Jan M. L. Martin;Branko Ruscic

  • W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data

    Amir Karton;Shauli Daon;Jan M.L. Martin

  • Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]

    Amir Karton;Jan M. L. Martin

  • Explicitly correlated Wn theory: W1-F12 and W2-F12.

    Amir Karton;Jan M. L. Martin

  • Benchmark study of DFT functionals for late-transition-metal reactions.

    Miriam M. Quintal;Amir Karton;Mark A. Iron;A. Daniel Boese

  • Double-Hybrid Functionals for Thermochemical Kinetics

    Alex Tarnopolsky;Amir Karton;Rotem Sertchook;Dana Vuzman

  • A computational chemist's guide to accurate thermochemistry for organic molecules

    Amir Karton

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

    Jingchong Liu;Nü Wang;Li Juan Yu;Amir Karton

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

    Amir Karton;Nitai Sylvetsky;Jan M. L. Martin

  • Performance of Ab Initio and Density Functional Methods for Conformational Equilibria of CnH2n+2 Alkane Isomers (n = 4—8)

    David Gruzman;Amir Karton;Jan M. L. Martin

  • Benchmark Thermochemistry of the CnH2n+2 Alkane Isomers (n = 2-8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria

    Amir Karton;David Gruzman;Jan M. L. Martin

  • Performance of ab initio and density functional methods for conformational equilibria of CnH2n+2 alkane isomers (n=2-8)

    David Gruzman;Amir Karton;Jan M. L. Martin

  • Remarkable improvement in hydrogen storage capacities of two-dimensional carbon nitride (g-C3N4) nanosheets under selected transition metal doping

    Puspamitra Panigrahi;Ashok Kumar;Amir Karton;Rajeev Ahuja;Rajeev Ahuja

  • Elemental Substitution of Two-Dimensional Transition Metal Dichalcogenides (MoSe2 and MoTe2): Implications for Enhanced Gas Sensing.

    Puspamitra Panigrahi;Tanveer Hussain;Amir Karton;Rajeev Ahuja

  • Basis set convergence of post-CCSD contributions to molecular atomization energies

    Amir Karton;Peter R. Taylor;Jan M. L. Martin

  • Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS‐QB3 composite method and their consequences in DFT benchmark studies

    Amir Karton;Lars Goerigk

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

    Samuel J. Tonkin;Christopher T. Gibson;Jonathan A. Campbell;David A. Lewis

  • A simple DFT-based diagnostic for nondynamical correlation

    Uma R. Fogueri;Sebastian Kozuch;Amir Karton;Jan M. L. Martin;Jan M. L. Martin

  • Benchmark thermochemistry of the C_nH_{2n+2} alkane isomers (n=2--8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria

    Amir Karton;David Gruzman;Jan M. L. Martin

  • Potassium Poly(Heptazine Imide) – Transition Metal‐free Solid State Triplet Sensitizer in Cascade Energy Transfer and [3+2]‐cycloadditions

    Aleksandr Savateev;Nadezda V. Tarakina;Volker Strauss;Tanveer Hussain

  • Model for the Exceptional Reactivity of Peroxiredoxins 2 and 3 with Hydrogen Peroxide A KINETIC AND COMPUTATIONAL STUDY

    Péter Nagy;Amir Karton;Andrea Betz;Alexander V. Peskin

Frequent Co-Authors

Jan M. L. Martin
Jan M. L. Martin Weizmann Institute of Science
Leo Radom
Leo Radom University of Sydney
Milko E. van der Boom
Milko E. van der Boom Weizmann Institute of Science
Linda J. W. Shimon
Linda J. W. Shimon Weizmann Institute of Science
Branko Ruscic
Branko Ruscic Argonne National Laboratory
Krishnan Raghavachari
Krishnan Raghavachari Indiana University
Gregory Leitus
Gregory Leitus Weizmann Institute of Science
Kirk A. Peterson
Kirk A. Peterson Washington State University
Hendrik Zipse
Hendrik Zipse Ludwig-Maximilians-Universität München
George C. Schatz
George C. Schatz Northwestern University

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