Amir Karton

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Jan M.L. MartinWeizmann OR NASA OR Texas OR Antwerp OR JerusalemVerificeret mail på weizmann.ac.il
Tanveer HussainThe University of New EnglandVerificeret mail på une.edu.au
Li-Juan YuThe Australian National UniversityVerificeret mail på anu.edu.au
Robert J. O'ReillyChemistry Department, University of New EnglandVerificeret mail på une.edu.au
Bun ChanNagasaki UniversityVerificeret mail på nagasaki-u.ac.jp
Farzaneh SarramiUniversity of LinkopingVerificeret mail på liu.se
rajeev ahujaUppsala universityVerificeret mail på physics.uu.se
Dylan JayatilakaTechnical University of Denmark (DTU) & University of Western Australia (UWA)Verificeret mail på uwa.edu.au
Milko van der BoomWeizmann Institute of ScienceVerificeret mail på weizmann.ac.il
Venkatesan S ThimmakonduSan Diego State UniversityVerificeret mail på sdsu.edu
Khidhir AlhameediSchool of Molecular Sciences, The University of Western AustraliaVerificeret mail på research.uwa.edu.au
Branko RuscicDistinguished Fellow, Argonne National Laboratory and Senior Fellow, The University of ChicagoVerificeret mail på anl.gov
Hoonkyung Lee(0000-0002-6417-1648)Professor of Physics, Konkuk UniversityVerificeret mail på konkuk.ac.kr
George C. SchatzNorthwestern UniversityVerificeret mail på northwestern.edu
Sebastian KozuchBen-Gurion University of the NegevVerificeret mail på bgu.ac.il
Mark IronComputational Chemistry Unit, Department of Chemical Research Support, Weizmann Institute of ScienceVerificeret mail på weizmann.ac.il
Linda ShimonHead, X-ray Crystallography Unit, Weizmann Institute of ScienceVerificeret mail på weizmann.ac.il
Thanayut KaewmarayaKhon Kaen UniversityVerificeret mail på kku.ac.th
Puspamitra PanigrahiScientist F (Professor), HITS, Chennai, IndiaVerificeret mail på hindustanuniv.ac.in
Hyeonhu BaePostdoctoral Fellow, Weizmann Institute of ScienceVerificeret mail på weizmann.ac.il

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Amir Karton

Professor of Chemistry, Associate Dean of Research, University of New England (Twitter @Lab_initio)

Verificeret mail på une.edu.au - Startside

Quantum Chemistry Density Functional Theory Materials Science Renewable Energy Machine Learning


Titel Sortér efter henvisninger Sortér efter årstal Sortér efter titel	Citeret af Citeret af	År
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions A Karton, E Rabinovich, JML Martin, B Ruscic The Journal of chemical physics 125 (14), 2006	862	2006
Highly accurate first-principles benchmark data sets for the parametrization and validation of density functional and other approximate methods. Derivation of a robust … A Karton, A Tarnopolsky, JF Lamére, GC Schatz, JML Martin The Journal of Physical Chemistry A 112 (50), 12868-12886, 2008	850	2008
W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data A Karton, S Daon, JML Martin Chemical Physics Letters 510 (4-6), 165-178, 2011	482	2011
Comment on:“Estimating the Hartree–Fock limit from finite basis set calculations”[Jensen F (2005) Theor Chem Acc 113: 267] A Karton, JML Martin Theoretical Chemistry Accounts 115 (4), 330-333, 2006	454	2006
Explicitly correlated Wn theory: W1-F12 and W2-F12 A Karton, JML Martin The Journal of Chemical Physics 136 (12), 2012	291	2012
Benchmark study of DFT functionals for late-transition-metal reactions MM Quintal, A Karton, MA Iron, AD Boese, JML Martin The Journal of Physical Chemistry A 110 (2), 709-716, 2006	282	2006
Double-hybrid functionals for thermochemical kinetics A Tarnopolsky, A Karton, R Sertchook, D Vuzman, JML Martin The Journal of Physical Chemistry A 112 (1), 3-8, 2008	268	2008
A computational chemist's guide to accurate thermochemistry for organic molecules A Karton Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (3), 292-310, 2016	261	2016
Bioinspired graphene membrane with temperature tunable channels for water gating and molecular separation J Liu, N Wang, LJ Yu, A Karton, W Li, W Zhang, F Guo, L Hou, Q Cheng, ... Nature communications 8 (1), 2011, 2017	208	2017
Performance of Ab Initio and Density Functional Methods for Conformational Equilibria of C_nH_2n+2 Alkane Isomers (n = 4−8) D Gruzman, A Karton, JML Martin The Journal of Physical Chemistry A 113 (43), 11974-11983, 2009	191	2009
Basis set convergence of post-CCSD contributions to molecular atomization energies A Karton, PR Taylor, JML Martin The Journal of chemical physics 127 (6), 2007	182	2007
W4‐17: A diverse and high‐confidence dataset of atomization energies for benchmarking high‐level electronic structure methods A Karton, N Sylvetsky, JML Martin Journal of Computational Chemistry 38 (24), 2063-2075, 2017	181	2017
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 … A Karton, D Gruzman, JML Martin The Journal of Physical Chemistry A 113 (29), 8434-8447, 2009	162	2009
Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS‐QB3 composite method and their consequences in DFT benchmark studies A Karton, L Goerigk Journal of Computational Chemistry 36 (9), 622-632, 2015	156	2015
Remarkable improvement in hydrogen storage capacities of two-dimensional carbon nitride (g-C3N4) nanosheets under selected transition metal doping P Panigrahi, A Kumar, A Karton, R Ahuja, T Hussain International journal of hydrogen energy 45 (4), 3035-3045, 2020	149	2020
Elemental Substitution of Two-Dimensional Transition Metal Dichalcogenides (MoSe₂ and MoTe₂): Implications for Enhanced Gas Sensing P Panigrahi, T Hussain, A Karton, R Ahuja ACS sensors 4 (10), 2646-2653, 2019	147	2019
Model for the exceptional reactivity of peroxiredoxins 2 and 3 with hydrogen peroxide: a kinetic and computational study P Nagy, A Karton, A Betz, AV Peskin, P Pace, RJ O'Reilly, MB Hampton, ... Journal of Biological Chemistry 286 (20), 18048-18055, 2011	145	2011
A simple DFT-based diagnostic for nondynamical correlation UR Fogueri, S Kozuch, A Karton, JML Martin Theoretical Chemistry Accounts 132, 1-9, 2013	141	2013
Benchmark ab Initio Conformational Energies for the Proteinogenic Amino Acids through Explicitly Correlated Methods. Assessment of Density Functional Methods MK Kesharwani, A Karton, JML Martin Journal of chemical theory and computation 12 (1), 444-454, 2016	139	2016
Chemically induced repair, adhesion, and recycling of polymers made by inverse vulcanization SJ Tonkin, CT Gibson, JA Campbell, DA Lewis, A Karton, T Hasell, ... Chemical science 11 (21), 5537-5546, 2020	136	2020

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