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Ganna Gryn'ova, PhD - Publications

Affiliations: 
2019- Computational Carbon Chemistry Heidelberg Institute for Theoretical Studies 
Area:
computational chemistry, materials science
Website:
https://www.h-its.org/en/research/ccc/
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31 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Gryn'ova G, Corminboeuf C. Conceptual Framework of Organic Electronics. Chimia. 73: 245-251. PMID 30975251 DOI: 10.2533/Chimia.2019.245  0.559
2019 Gryn'ova G, Corminboeuf C. Topology-Driven Single-Molecule Conductance of Carbon Nanothreads. The Journal of Physical Chemistry Letters. 825-830. PMID 30668127 DOI: 10.1021/Acs.Jpclett.8B03556  0.511
2018 Gryn'ova G, Lin KH, Corminboeuf C. Read between the Molecules: Computational Insights into Organic Semiconductors. Journal of the American Chemical Society. PMID 30395466 DOI: 10.1021/Jacs.8B07985  0.71
2018 Hong NS, Petrović D, Lee R, Gryn'ova G, Purg M, Saunders J, Bauer P, Carr PD, Lin CY, Mabbitt PD, Zhang W, Altamore T, Easton C, Coote ML, Kamerlin SCL, et al. The evolution of multiple active site configurations in a designed enzyme. Nature Communications. 9: 3900. PMID 30254369 DOI: 10.1038/S41467-018-06305-Y  0.705
2018 Le Vaillant F, Garreau M, Nicolai S, Gryn'ova G, Corminboeuf C, Waser J. Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers. Chemical Science. 9: 5883-5889. PMID 30079201 DOI: 10.1039/C8Sc01818A  0.541
2018 Gryn'ova G, Corminboeuf C. Steric "attraction": not by dispersion alone. Beilstein Journal of Organic Chemistry. 14: 1482-1490. PMID 30013675 DOI: 10.3762/Bjoc.14.125  0.513
2017 Gryn'ova G, Ollitrault PJ, Corminboeuf C. Guidelines and diagnostics for charge carrier tuning in thiophene-based wires. Physical Chemistry Chemical Physics : Pccp. 19: 23254-23259. PMID 28825751 DOI: 10.1039/C7Cp04295G  0.556
2017 Gryn'ova G, Smith LM, Coote ML. Computational design of pH-switchable control agents for nitroxide mediated polymerization. Physical Chemistry Chemical Physics : Pccp. PMID 28812080 DOI: 10.1039/C7Cp04337F  0.645
2017 Li Y, Gryn'ova G, Saenz F, Jeanbourquin X, Sivula K, Corminboeuf C, Waser J. Heterotetracenes: Flexible Synthesis and in Silico Assessment of the Hole Transport Properties. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28407451 DOI: 10.1002/Chem.201701139  0.549
2017 Li JH, Gryn'ova G, Prlj A, Corminboeuf C. Enhancing the power conversion efficiency of dye-sensitized solar cells via molecular plasmon-like excitations. Chemical Communications (Cambridge, England). PMID 28120983 DOI: 10.1039/C6Cc09697B  0.517
2017 Gryn'ova G, Coote ML. Directionality and the Role of Polarization in Electric Field Effects on Radical Stability Australian Journal of Chemistry. 70: 367. DOI: 10.1071/Ch16579  0.526
2016 Gryn'ova G, Corminboeuf C. Implications of Charge Penetration for Heteroatom-Containing Organic Semiconductors. The Journal of Physical Chemistry Letters. 7: 5198-5204. PMID 27973870 DOI: 10.1021/Acs.Jpclett.6B02585  0.514
2016 Lee R, Gryn'ova G, Ingold KU, Coote ML. Why are sec-alkylperoxyl bimolecular self-reactions orders of magnitude faster than the analogous reactions of tert-alkylperoxyls? The unanticipated role of CH hydrogen bond donation. Physical Chemistry Chemical Physics : Pccp. PMID 27511438 DOI: 10.1039/C6Cp04670C  0.702
2015 Klinska M, Smith LM, Gryn'ova G, Banwell MG, Coote ML. Experimental demonstration of pH-dependent electrostatic catalysis of radical reactions. Chemical Science. 6: 5623-5627. PMID 29861899 DOI: 10.1039/C5Sc01307K  0.682
2015 Pahnke K, Brandt J, Gryn'ova G, Lindner P, Schweins R, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C. Entropy driven chain effects on ligation chemistry. Chemical Science. 6: 1061-1074. PMID 29560194 DOI: 10.1039/C4Sc02908A  0.577
2015 Gryn'ova G, Coote ML, Corminboeuf C. Theory and practice of uncommon molecular electronic configurations. Wiley Interdisciplinary Reviews. Computational Molecular Science. 5: 440-459. PMID 27774112 DOI: 10.1002/Wcms.1233  0.64
2015 Pahnke K, Brandt J, Gryn'ova G, Lin CY, Altintas O, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C. Entropy-Driven Selectivity for Chain Scission: Where Macromolecules Cleave. Angewandte Chemie (International Ed. in English). PMID 26663567 DOI: 10.1002/Anie.201508531  0.682
2015 Stoutenburg EG, Gryn'ova G, Coote ML, Priefer R. Chemical shift and coupling constant analysis of dibenzyloxy disulfides. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 136: 1924-31. PMID 25467687 DOI: 10.1016/J.Saa.2014.10.109  0.499
2015 Klinska M, Smith LM, Gryn'ova G, Banwell MG, Coote ML. Experimental demonstration of pH-dependent electrostatic catalysis of radical reactions Chemical Science. 6: 5623-5627. DOI: 10.1039/c5sc01307k  0.581
2015 Pahnke K, Brandt J, Gryn'ova G, Lin CY, Altintas O, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C. Entropisch bedingte Selektivität der Kettenspaltung oder: Wo Makromoleküle sich trennen Angewandte Chemie. 128: 1537-1541. DOI: 10.1002/Ange.201508531  0.456
2014 Chen R, Gryn'ova G, Wu Y, Coote ML, Chung SH. Mechanisms and energetics of potassium channel block by local anesthetics and antifungal agents. Biochemistry. 53: 6786-92. PMID 25300013 DOI: 10.1021/Bi5009408  0.427
2014 Paine MRL, Gryn'Ova G, Coote ML, Barker PJ, Blanksby SJ. Desorption electrospray ionisation mass spectrometry of stabilised polyesters reveals activation of hindered amine light stabilisers Polymer Degradation and Stability. 99: 223-232. DOI: 10.1016/J.Polymdegradstab.2013.10.026  0.537
2014 Marshall DL, Gryn'ova G, Coote ML, Barker PJ, Blanksby SJ. Experimental evidence for competitive NO and OC bond homolysis in gas-phase alkoxyamines International Journal of Mass Spectrometry. DOI: 10.1016/J.Ijms.2014.06.030  0.522
2013 Gryn'ova G, Coote ML. Origin and scope of long-range stabilizing interactions and associated SOMO-HOMO conversion in distonic radical anions. Journal of the American Chemical Society. 135: 15392-403. PMID 24090128 DOI: 10.1021/Ja404279F  0.541
2013 Gryn'ova G, Marshall DL, Blanksby SJ, Coote ML. Switching radical stability by pH-induced orbital conversion. Nature Chemistry. 5: 474-81. PMID 23695628 DOI: 10.1038/Nchem.1625  0.577
2013 Gryn'ova G, Guliashvili T, Matyjaszewski K, Coote ML. Computational evaluation of the sulfonyl radical as a universal leaving group for RAFT polymerisation Australian Journal of Chemistry. 66: 308-313. DOI: 10.1071/Ch12452  0.567
2013 Gryn'ova G, Lin CY, Coote ML. Which side-reactions compromise nitroxide mediated polymerization? Polymer Chemistry. 4: 3744. DOI: 10.1039/C3Py00534H  0.671
2012 Gryn'ova G, Barakat JM, Blinco JP, Bottle SE, Coote ML. Computational design of cyclic nitroxides as efficient redox mediators for dye-sensitized solar cells. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 7582-93. PMID 22532461 DOI: 10.1002/Chem.201103598  0.547
2012 Gryn'ova G, Ingold KU, Coote ML. New insights into the mechanism of amine/nitroxide cycling during the hindered amine light stabilizer inhibited oxidative degradation of polymers. Journal of the American Chemical Society. 134: 12979-88. PMID 22493941 DOI: 10.1021/Ja3006379  0.569
2011 Marshall DL, Christian ML, Gryn'ova G, Coote ML, Barker PJ, Blanksby SJ. Oxidation of 4-substituted TEMPO derivatives reveals modifications at the 1- and 4-positions. Organic & Biomolecular Chemistry. 9: 4936-47. PMID 21597620 DOI: 10.1039/C1Ob05037K  0.579
2011 Gryn'ova G, Hodgson JL, Coote ML. Revising the mechanism of polymer autooxidation. Organic & Biomolecular Chemistry. 9: 480-90. PMID 21072412 DOI: 10.1039/C0Ob00596G  0.697
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