Publikationen

2019

• Ganna Gryn’ova, Clémence Corminboeuf (2019). Conceptual Framework of Organic Electronics, chimia (aarau) 73(4):245-251 490
• Ganna Gryn’ova, Clémence Corminboeuf (2019). Topology-Driven Single-Molecule Conductance of Carbon Nanothreads, J. Phys. Chem. Lett. 10(4):825-830 491
• David L. Marshall, Ganna Gryn’ova, Berwyck L.J. Poad, Steven E. Bottle, Adam J. Trevitt, Michelle L. Coote, Stephen J. Blanksby (2019). Experimental Evidence for Long-Range Stabilizing and Destabilizing Interactions between Charge and Radical Sites in Distonic Ions, International Journal of Mass Spectrometry 435:195-203 492

2018

• Nan-Sook Hong, Dušan Petrović, Richmond Lee, Ganna Gryn’ova, Miha Purg, Jake Saunders, Paul Bauer, Paul D. Carr, Ching-Yeh Lin, Peter D. Mabbitt, William Zhang, Timothy Altamore, Chris Easton, Michelle L. Coote, Shina C. L. Kamerlin, Colin J. Jackson (2018). The Evolution of Multiple Active Site Configurations in a Designed Enzyme, Nat Commun 9(1) 497
• Ganna Gryn’ova, Kun-Han Lin, Clémence Corminboeuf (2018). Read between the Molecules: Computational Insights into Organic Semiconductors, J. Am. Chem. Soc. 140(48):16370-16386 493
• G. Gryn’ova, C. Corminboeuf (2018). Noncovalent Molecular Electronics, J. Phys. Chem. Lett. 9(9):2298-2304 494
• Ganna Gryn’ova, Clémence Corminboeuf (2018). Steric “Attraction”: Not by Dispersion Alone, Beilstein J. Org. Chem. 14:1482-1490 495
• Franck Le Vaillant, Marion Garreau, Stefano Nicolai, Ganna Gryn’ova, Clemence Corminboeuf, Jerome Waser (2018). Fine-Tuned Organic Photoredox Catalysts for Fragmentation-Alkynylation Cascades of Cyclic Oxime Ethers, Chem. Sci. 9(27):5883-5889 496

2017

• Yifan Li, Ganna Gryn’ova, Felipe Saenz, Xavier Jeanbourquin, Kevin Sivula, Clémence Corminboeuf, Jérôme Waser (2017). Heterotetracenes: Flexible Synthesis and in Silico Assessment of the Hole-Transport Properties, Chem. Eur. J. 23(33):8058-8065 500
• Ganna Gryn’ova, Leesa M. Smith, Michelle L. Coote (2017). Computational Design of pH-Switchable Control Agents for Nitroxide Mediated Polymerization, Phys. Chem. Chem. Phys. 19(34):22678-22683 498
• Ganna Gryn’ova, Pauline J. Ollitrault, Clémence Corminboeuf (2017). Guidelines and Diagnostics for Charge Carrier Tuning in Thiophene-Based Wires, Phys. Chem. Chem. Phys. 19(34):23254-23259 499
• Jian-Hao Li, Ganna Gryn’ova, Antonio Prlj, Clémence Corminboeuf (2017). Enhancing the Power Conversion Efficiency of Dye-Sensitized Solar Cells via Molecular Plasmon-Like Excitations, Chem. Commun. 53(16):2423-2426 501
• Ganna Gryn’ova, Michelle L. Coote (2017). Directionality and the Role of Polarization in Electric Field Effects on Radical Stability, Aust. J. Chem. 70(4):367 502
• Ganna Gryn’ova, Adrien Nicolaï, Antonio Prlj, Pauline Ollitrault, Denis Andrienko, Clemence Corminboeuf (2017). Charge Transport in Highly Ordered Organic Nanofibrils: Lessons from Modelling, J. Mater. Chem. C 5(2):350-361 503

2016

• Ganna Gryn’ova, Clemence Corminboeuf (2016). Implications of Charge Penetration for Heteroatom-Containing Organic Semiconductors, J. Phys. Chem. Lett. 7(24):5198-5204 504
• Kai Pahnke, Josef Brandt, Ganna Gryn’ova, Ching Y. Lin, Ozcan Altintas, Friedrich G. Schmidt, Albena Lederer, Michelle L. Coote, Christopher Barner-Kowollik (2016). Entropy-Driven Selectivity for Chain Scission: Where Macromolecules Cleave, Angew. Chem. Int. Ed. 55(4):1514-1518 506
• Richmond Lee, Ganna Gryn’ova, K. U. Ingold, Michelle L. Coote (2016). 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. 18(34):23673-23679 505

2015

• Ganna Gryn’ova, Michelle L. Coote, Clemence Corminboeuf (2015). Theory and Practice of Uncommon Molecular Electronic Configurations, WIREs Comput Mol Sci 5(6):440-459 507
• Eric G. Stoutenburg, Ganna Gryn’ova, Michelle L. Coote, Ronny Priefer (2015). Chemical Shift and Coupling Constant Analysis of Dibenzyloxy Disulfides, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136:1924-1931 510
• David L. Marshall, Ganna Gryn’ova, Michelle L. Coote, Philip J. Barker, Stephen J. Blanksby (2015). Experimental Evidence for Competitive N-O and O-C Bond Homolysis in Gas-Phase Alkoxyamines, International Journal of Mass Spectrometry 378:38-47 511
• Marta Klinska, Leesa M. Smith, Ganna Gryn’ova, Martin G. Banwell, Michelle L. Coote (2015). Experimental Demonstration of pH-Dependent Electrostatic Catalysis of Radical Reactions, Chem. Sci. 6(10):5623-5627 508
• Kai Pahnke, Josef Brandt, Ganna Gryn’ova, Peter Lindner, Ralf Schweins, Friedrich Georg Schmidt, Albena Lederer, Michelle L. Coote, Christopher Barner-Kowollik (2015). Entropy-Driven Chain Effects on Ligation Chemistry, Chem. Sci. 6(2):1061-1074 509

2014

• Rong Chen, Ganna Gryn’ova, Yingliang Wu, Michelle L. Coote, Shin-Ho Chung (2014). Mechanisms and Energetics of Potassium Channel Block by Local Anesthetics and Antifungal Agents, Biochemistry 53(43):6786-6792 512
• Martin R.L. Paine, Ganna Gryn’ova, Michelle L. Coote, Philip J. Barker, Stephen J. Blanksby (2014). Desorption Electrospray Ionisation Mass Spectrometry of Stabilised Polyesters Reveals Activation of Hindered Amine Light Stabilisers, Polymer Degradation and Stability 99:223-232 513

2013

• Ganna Gryn’ova, Michelle L. Coote (2013). Origin and Scope of Long-Range Stabilizing Interactions and Associated SOMO–HOMO Conversion in Distonic Radical Anions, J. Am. Chem. Soc. 135(41):15392-15403 514
• Ganna Gryn’ova, David L. Marshall, Stephen J. Blanksby, Michelle L. Coote (2013). Switching Radical Stability by pH-Induced Orbital Conversion, Nature Chem 5(6):474-481 516
• Ganna Gryn’ova, Ching Yeh Lin, Michelle L. Coote (2013). Which Side-Reactions Compromise Nitroxide Mediated Polymerization?, Polym. Chem. 4(13):3744 515
• Ganna Gryn’ova, Tamaz Guliashvili, Krzysztof Matyjaszewski, Michelle L. Coote (2013). Computational Evaluation of the Sulfonyl Radical as a Universal Leaving Group for RAFT Polymerisation, Aust. J. Chem. 66(3):308 517

2012

• Ganna Gryn’ova, K. U. Ingold, Michelle L. Coote (2012). New Insights into the Mechanism of Amine/Nitroxide Cycling during the Hindered Amine Light Stabilizer Inhibited Oxidative Degradation of Polymers, J. Am. Chem. Soc. 134(31):12979-12988 518
• Ganna Gryn’ova, Jonathan M. Barakat, James P. Blinco, Steven E. Bottle, Michelle L. Coote (2012). Computational Design of Cyclic Nitroxides as Efficient Redox Mediators for Dye-Sensitized Solar Cells, Chem. Eur. J. 18(24):7582-7593 519
• Carlos M. R. Abreu, Patrícia V. Mendonça, Arménio C. Serra, Jorge F. J. Coelho, Anatoliy V. Popov, Ganna Gryn’ova, Michelle L. Coote, Tamaz Guliashvili (2012). Reversible Addition–Fragmentation Chain Transfer Polymerization of Vinyl Chloride, Macromolecules 45(5):2200-2208 520

2011

• V. B. Golubev, A. N. Filippov, E. V. Chernikova, M. L. Coote, C. Y. Lin, G. Gryn’ova (2011). 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 53(1):14-26 522
• Yana A. Kholod, Ganna Gryn’ova, Leonid Gorb, Frances C. Hill, Jerzy Leszczynski (2011). Evaluation of the Dependence of Aqueous Solubility of Nitro Compounds on Temperature and Salinity: A COSMO-RS Simulation, Chemosphere 83(3):287-294 524
• Ganna Gryn’ova, Jennifer L. Hodgson, Michelle L. Coote (2011). Revising the Mechanism of Polymer Autooxidation, Org. Biomol. Chem. 9(2):480-490 521
• David L. Marshall, Meganne L. Christian, Ganna Gryn’ova, Michelle L. Coote, Philip J. Barker, Stephen J. Blanksby (2011). Oxidation of 4-Substituted TEMPO Derivatives Reveals Modifications at the 1- and 4-Positions, Org. Biomol. Chem. 9(13):4936 523

2010

• Md. Alamgir Hossain, Musabbir A. Saeed, Ganna Gryn’ova, Douglas R. Powell, Jerzy Leszczynski (2010). Unusual Complexes of Trapped Methanol with Azacryptands, CrystEngComm 12(12):4042 525