Ganna Gryn'ova, PhD
Ganna Gryn'ova, PhD
Group Leader, Computational Carbon Chemistry (CCC)
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Revising the mechanism of polymer autooxidation
G Gryn'ova, JL Hodgson, ML Coote
Organic & biomolecular chemistry 9 (2), 480-490, 2011
1422011
Switching radical stability by pH-induced orbital conversion
G Gryn'ova, DL Marshall, SJ Blanksby, ML Coote
Nature chemistry 5 (6), 474-481, 2013
1022013
New insights into the mechanism of amine/nitroxide cycling during the hindered amine light stabilizer inhibited oxidative degradation of polymers
G Gryn’ova, KU Ingold, ML Coote
Journal of the American Chemical Society 134 (31), 12979-12988, 2012
962012
Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers
F Le Vaillant, M Garreau, S Nicolai, G Gryn'ova, C Corminboeuf, J Waser
Chemical science 9 (27), 5883-5889, 2018
932018
Origin and scope of long-range stabilizing interactions and associated SOMO–HOMO conversion in distonic radical anions
G Gryn’ova, ML Coote
Journal of the American Chemical Society 135 (41), 15392-15403, 2013
792013
Computational Design of Cyclic Nitroxides as Efficient Redox Mediators for Dye‐Sensitized Solar Cells
G Gryn'ova, JM Barakat, JP Blinco, SE Bottle, ML Coote
Chemistry–A European Journal 18 (24), 7582-7593, 2012
742012
Theory and practice of uncommon molecular electronic configurations
G Gryn'ova, ML Coote, C Corminboeuf
Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (6), 440-459, 2015
652015
Reversible addition–fragmentation chain transfer polymerization of vinyl chloride
CMR Abreu, PV Mendonca, AC Serra, JFJ Coelho, AV Popov, G Gryn’ova, ...
Macromolecules 45 (5), 2200-2208, 2012
592012
Experimental demonstration of pH-dependent electrostatic catalysis of radical reactions
M Klinska, LM Smith, G Gryn'ova, MG Banwell, ML Coote
Chemical science 6 (10), 5623-5627, 2015
502015
Read between the molecules: Computational insights into organic semiconductors
G Gryn’ova, KH Lin, C Corminboeuf
Journal of the American Chemical Society 140 (48), 16370-16386, 2018
462018
Which side-reactions compromise nitroxide mediated polymerization?
G Gryn'ova, CY Lin, ML Coote
Polymer Chemistry 4 (13), 3744-3754, 2013
372013
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 …
R Lee, G Gryn'Ova, KU Ingold, ML Coote
Physical Chemistry Chemical Physics 18 (34), 23673-23679, 2016
352016
Oxidation of 4-substituted TEMPO derivatives reveals modifications at the 1-and 4-positions
DL Marshall, ML Christian, G Gryn'ova, ML Coote, PJ Barker, SJ Blanksby
Organic & biomolecular chemistry 9 (13), 4936-4947, 2011
352011
The evolution of multiple active site configurations in a designed enzyme
NS Hong, D Petrović, R Lee, G Gryn’ova, M Purg, J Saunders, P Bauer, ...
Nature communications 9 (1), 1-10, 2018
342018
Entropy driven chain effects on ligation chemistry
K Pahnke, J Brandt, G Gryn'ova, P Lindner, R Schweins, FG Schmidt, ...
Chemical science 6 (2), 1061-1074, 2015
342015
Implications of charge penetration for heteroatom-containing organic semiconductors
G Gryn’ova, C Corminboeuf
The journal of physical chemistry letters 7 (24), 5198-5204, 2016
212016
Evaluation of the dependence of aqueous solubility of nitro compounds on temperature and salinity: A COSMO-RS simulation
YA Kholod, G Gryn’ova, L Gorb, FC Hill, J Leszczynski
Chemosphere 83 (3), 287-294, 2011
212011
Directionality and the role of polarization in electric field effects on radical stability
G Gryn’ova, ML Coote
Australian Journal of Chemistry 70 (4), 367-372, 2017
202017
Entropy‐Driven Selectivity for Chain Scission: Where Macromolecules Cleave
K Pahnke, J Brandt, G Gryn'Ova, CY Lin, O Altintas, FG Schmidt, ...
Angewandte Chemie International Edition 55 (4), 1514-1518, 2016
202016
Computational design of pH-switchable control agents for nitroxide mediated polymerization
G Gryn’ova, LM Smith, ML Coote
Physical Chemistry Chemical Physics 19 (34), 22678-22683, 2017
192017
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Artiklar 1–20