CCC Gruppe

Publikationen

Peer-reviewed journal articles

36.	G. Gryn’ova, C. Corminboeuf^§, Conceptual Framework of Organic Electronics, Chimia 2019, 73, 245-251.
35.	G. Gryn’ova, C. Corminboeuf^§, Topology-Driven Single-Molecule Conductance of Carbon Nanothreads, J. Phys. Chem. Lett. 2019, 10, 825-830.
34.	D. L. Marshall^§, G. Gryn’ova, B. L. J. Poad, S. E. Bottle, A. J. Trevitt, M. L. Coote, S. J. Blanksby^§, Experimental Evidence for Long-Range Stabilizing and Destabilizing Interactions between Charge and Radical Sites in Distonic Ions, Int. J. Mass. Spec. 2019, 435, 195-203.
33	G. Gryn’ova, K.-H. Lin, C. Corminboeuf^§, Read between the Molecules: Computational Insights into Organic Semiconductors, J. Am. Chem. Soc. 2018, 140, 16370-16386 (invited perspective).
32.	G. Gryn’ova, C. Corminboeuf^§, Noncovalent Molecular Electronics, J. Phys. Chem. Lett. 2018, 9, 2298-2304 (top 20 cited articles in April-May 2018, featured in ACS LiveSlides^TM).
31.	G. Gryn’ova, C. Corminboeuf^§, Steric “Attraction”: Not by Dispersion Alone, Beilstein J. Org. Chem. 2018, 14, 1482-1490 (part of thematic issue on Dispersion Interactions).
30.	F. Le Vaillant, M. Garreau, S. Nicolai, G. Gryn’ova, C. Corminboeuf, J. Waser^§, Fine-Tuned Organic Photoredox Catalysts for Fragmentation-Alkynylation Cascades of Cyclic Oxime Ethers, Chem. Sci. 2018, 9, 5883-5889 (featured on a cover; part of 2018 Chemical Science HOT Article Collection).
29.	N.-S. Hong, D. Petrović, R. Lee, G. Gryn’ova, M. Purg, J. Saunders, P. Bauer, P. D. Carr, C.-Y. Lin, P. D. Mabbitt, W. Zhang, T. Altamore, C. J. Easton, M. L. Coote, S. C. L. Kamerlin, C. J. Jackson^§, The Evolution of Multiple Active Site Configurations in a Designed Enzyme, Nature Commun. 2018, 9, 3900.
28.	G. Gryn’ova, L. M. Smith, M. L. Coote^§, Computational Design of pH-Switchable Control Agents for Nitroxide Mediated Polymerization, Phys. Chem. Chem. Phys. 2017, 19, 22678-22683 (part of 2017 PCCP HOT Articles).
27.	G. Gryn’ova, P. J. Ollitrault, C. Corminboeuf^§, Guidelines and Diagnostics for Charge Carrier Tuning in Thiophene-Based Wires, Phys. Chem. Chem. Phys. 2017, 19, 23254-23259.
26.	Y. Li, G. Gryn’ova, F. Saenz, X. Jeanbourquin, K. Sivula, C. Corminboeuf^§, J. Waser^§, Heterotetracenes: Flexible Synthesis and Hole Transports Assessment Based on Computations, Chem. Eur. J. 2017, 23, 8058-8065.
25.	J.-H. Li, G. Gryn’ova, A. Prlj, C. Corminboeuf^§, Enhancing the Power Conversion Efficiency of Dye-Sensitized Solar Cells via Molecular Plasmons, Chem. Comm. 2017, 53, 2423-2426 (featured on a cover).
24.	G. Gryn’ova, M. L. Coote^§, Directionality and the Role of Polarization in Electric Field Effects on Radical Stability, Aust. J. Chem. 2017, 70, 367-372.
23.	G. Gryn’ova,^† A. Nicolaï,^† A. Prlj, P. Ollitrault, D. Andrienko, C. Corminboeuf^§, Charge Transport in Highly Ordered Organic Nanofibrils: Lessons from Modelling, J. Mater. Chem. C 2017, 5, 350-361.
22.	G. Gryn’ova, C. Corminboeuf^§, Implications of Charge Penetration for the HeteroatomContaining Organic Semiconductors, J. Phys. Chem. Lett. 2016, 7, 5198-5204 (featured in ACS LiveSlides^TM).
21.	R. Lee, G. Gryn’ova, K. U. Ingold^§, M. L. Coote^§, 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, Phys. Chem. Chem. Phys. 2016, 18, 23673-23679.
20.	K. Pahnke, J. Brandt, G. Gryn’ova, C. Y. Lin, O. Altintas, F. G. Schmidt, A. Lederer^§, M. L. Coote^§, C. Barner-Kowollik^§, Entropy-Driven Selectivity for Chain Scission: Where Macromolecules Cleave, Angew. Chem. Int. Ed. 2016, 55, 1514-1518.
19.	G. Gryn’ova, M. L. Coote^§, C. Corminboeuf^§, Theory and Practice of Uncommon Molecular Electronic Configurations, WIREs Comput. Molec. Sci. 2015, 5, 440-459.
18.	M. Klinska, L. M. Smith, G. Gryn’ova, M. G. Banwell, M. L. Coote^§, Experimental Demonstration of pH-Dependent Electrostatic Catalysis of Radical Reactions, Chem. Sci. 2015, 6, 5623-5627.
17.	K. Pahnke, J. Brandt, G. Gryn’ova, P. Lindner, R. Schweins, F. G. Schmidt, A. Lederer^§, M. L. Coote^§, C. Barner-Kowollik^§, Entropy Driven Chain Effects on Ligation Chemistry, Chem. Sci. 2015, 6, 1061-1074.
16.	E. G. Stoutenburg, G. Gryn’ova, M. L. Coote, R. Priefer^§, Chemical Shift and Coupling Constant Analysis of Dibenzyloxy Disulfides, Spectrochim. Acta, Part A: Mol. Biomol. Spectros. 2015, 136, 1924-1931.
15.	D. L. Marshall, G. Gryn’ova, M. L. Coote, P. J. Barker, S. J. Blanksby^§, Experimental Evidence for Competitive N-O and O-C Bond Homolysis in Gas-Phase Alkoxyamines, Int. J. Mass Spec. 2015, 378, 38-47.
14.	R. Chen^§, G. Gryn’ova, Y.-L. Wu, M. L. Coote, S.-H. Chung, Mechanisms and Energetics of Potassium Channel Block by local Anesthetics and Antifungal Agents, Biochemistry 2014, 53, 6786-6792.
13.	M. R. L. Paine, G. Gryn’ova, M. L. Coote, P. J. Barker, S. J. Blanksby^§, Desorption Electrospray Ionisation Mass Spectrometry of Stabilised Polyesters Reveals Activation of Hindered Amine Light Stabilisers, Polym. Degrad. Stab.2014, 99, 223-232.
12.	G. Gryn’ova, M. L. Coote^§, Origin and Scope of Long-Range Stabilizing Interactions and Associated SOMO–HOMO Conversion in Distonic Radical Anions, J. Am. Chem. Soc. 2013, 135, 15392-15403.
11.	G. Gryn’ova, C. Y. Lin, M. L. Coote^§, Which Side-Reactions Compromise Nitroxide Mediated Polymerization? Polym. Chem. 2013, 4, 3744-3754 (featured on a cover).
10.	G. Gryn’ova, D. L. Marshall, S. J. Blanksby, M. L. Coote^§, Switching Radical Stability by pH-Induced Orbital Conversion, Nature Chem. 2013, 5, 474-481.
9.	G. Gryn’ova, T. Guliashvili^§, K. Matyjaszewski, M. L. Coote^§, Computational Evaluation of Sulfonyl Radical as a Universal Leaving Group for RAFT Polymerisation, Aust. J. Chem. 2013, 66, 308-313.
8.	G. Gryn’ova, K. U. Ingold, M. L. Coote^§, New Insights into the Mechanism of Amine / Nitroxide Cycling During the Hindered Amine Light Stabilizer Inhibited Oxidative Degradation of Polymers, J. Am. Chem. Soc. 2012, 134, 12979-12988 (featured on a cover).
7.	G. Gryn’ova, J. M. Barakat, J. P. Blinco, S. E. Bottle, M. L. Coote^§, Computational Design of Cyclic Nitroxides as Efficient Redox Mediators for Dye-Sensitized Solar Cells, Chem. Eur. J. 2012, 18, 7582-7593.
6.	C. M. R. Abreu, P. V. Mendonca, A. C. Serra, J. F. J. Coelho^§, A. V. Popov, G. Gryn’ova, M. L. Coote^§, T. Guliashvili^§, Reversible Addition-Fragmentation Chain Transfer Polymerization of Vinyl Chloride, Macromolecules 2012, 45, 2200-2208.
5.	G. Gryn’ova, J. L. Hodgson, M. L. Coote^§, Revising the Mechanism of Polymer Autooxidation, Org. Biomol. Chem.2011, 9, 480-490.
4.	V. B. Golubev, A. N. Filippov, E. V. Chernikova^§, M. L. Coote^§, C. Y. Lin, G. Gryn’ova, The Use of Spin Traps for the Kinetic Investigation of Elementary Events of Pseudoliving Radical Reversible Addition Fragmentation Chain Transfer Polymerization, Polym. Sci., Ser. C 2011, 53, 14-26.
3.	D. L. Marshall, M. L. Christian, G. Gryn’ova, M. L. Coote, P. J. Barker, S. J. Blanksby^§, Oxidation of 4-Substituted TEMPO Derivatives Reveals Modifications at the 1- and 4-Positions, Org. Biomol. Chem. 2011, 9, 4936-4947.
2.	Y. A. Kholod^§, G. Gryn’ova, L. Gorb, F. C. Hill, J. Leszczynski, Evaluation of the Dependence of Aqueous Solubility of Nitro Compounds on Temperature and Salinity: a COSMO-RS Simulation, Chemosphere 2011, 83, 287-294.
1.	Md. A. Hossain^§, M. A. Saeed, G. Gryn’ova, D. R. Powell, J. Leszczynski^§, Unusual Complexes of Trapped Methanol with Azacryptands, Cryst. Eng. Comm. 2010, 12, 4042-4044.

Book chapters

N. Filippov, E. V. Chernikova, V. B. Golubev, G. Gryn’ova, C. Y. Lin, M. L. Coote, Use of Spin Trap Technique for Kinetic Investigation of Elementary Steps of RAFT-Polymerization, In Nitroxides – Theory, Experiment and Applications, Kokorin A.I., Ed., InTech: Rijeka, Croatia (2012), Chapter 15, pp. 407-436.

Patents

1.	G. Gryn’ova, M. L. Coote, Radical orbital switching, Patent Application No. WO2014121327 A1 (left at PCT stage).