Publikationen
2019 Gryn’ova G, Corminboeuf C (2019). Conceptual Framework of Organic Electronics , chimia (aarau) 73(4):245-251 490 Gryn’ova G, Corminboeuf C (2019). Topology-Driven Single-Molecule Conductance of Carbon Nanothreads , J. Phys. Chem. Lett. 10(4):825-830 491 Marshall DL, Gryn’ova G, Poad BL, Bottle SE, Trevitt AJ, Coote ML, Blanksby SJ (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 Hong N, Petrović D, Lee R, Gryn’ova G, Purg M, Saunders J, Bauer P, Carr PD, Lin C, Mabbitt PD, Zhang W, Altamore T, Easton C, Coote ML, Kamerlin SCL, Jackson CJ (2018). The Evolution of Multiple Active Site Configurations in a Designed Enzyme , Nat Commun 9(1) 497 Gryn’ova G, Lin K, Corminboeuf C (2018). Read between the Molecules: Computational Insights into Organic Semiconductors , J. Am. Chem. Soc. 140(48):16370-16386 493 Gryn’ova G, Corminboeuf C (2018). Noncovalent Molecular Electronics , J. Phys. Chem. Lett. 9(9):2298-2304 494 Gryn’ova G, Corminboeuf C (2018). Steric “Attraction”: Not by Dispersion Alone , Beilstein J. Org. Chem. 14:1482-1490 495 Vaillant FL, Garreau M, Nicolai S, Gryn’ova G, Corminboeuf C, Waser J (2018). Fine-Tuned Organic Photoredox Catalysts for Fragmentation-Alkynylation Cascades of Cyclic Oxime Ethers , Chem. Sci. 9(27):5883-5889 496 2017 Li Y, Gryn’ova G, Saenz F, Jeanbourquin X, Sivula K, Corminboeuf C, Waser J (2017). Heterotetracenes: Flexible Synthesis and in Silico Assessment of the Hole-Transport Properties , Chem. Eur. J. 23(33):8058-8065 500 Gryn’ova G, Smith LM, Coote ML (2017). Computational Design of pH-Switchable Control Agents for Nitroxide Mediated Polymerization , Phys. Chem. Chem. Phys. 19(34):22678-22683 498 Gryn’ova G, Ollitrault PJ, Corminboeuf C (2017). Guidelines and Diagnostics for Charge Carrier Tuning in Thiophene-Based Wires , Phys. Chem. Chem. Phys. 19(34):23254-23259 499 Li J, Gryn’ova G, Prlj A, Corminboeuf C (2017). Enhancing the Power Conversion Efficiency of Dye-Sensitized Solar Cells via Molecular Plasmon-Like Excitations , Chem. Commun. 53(16):2423-2426 501 Gryn’ova G, Coote ML (2017). Directionality and the Role of Polarization in Electric Field Effects on Radical Stability , Aust. J. Chem. 70(4):367 502 Gryn’ova G, Nicolaï A, Prlj A, Ollitrault P, Andrienko D, Corminboeuf C (2017). Charge Transport in Highly Ordered Organic Nanofibrils: Lessons from Modelling , J. Mater. Chem. C 5(2):350-361 503 2016 Gryn’ova G, Corminboeuf C (2016). Implications of Charge Penetration for Heteroatom-Containing Organic Semiconductors , J. Phys. Chem. Lett. 7(24):5198-5204 504 Pahnke K, Brandt J, Gryn’ova G, Lin CY, Altintas O, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C (2016). Entropy-Driven Selectivity for Chain Scission: Where Macromolecules Cleave , Angew. Chem. Int. Ed. 55(4):1514-1518 506 Lee R, Gryn’ova G, Ingold KU, Coote ML (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 Gryn’ova G, Coote ML, Corminboeuf C (2015). Theory and Practice of Uncommon Molecular Electronic Configurations , WIREs Comput Mol Sci 5(6):440-459 507 Stoutenburg EG, Gryn’ova G, Coote ML, Priefer R (2015). Chemical Shift and Coupling Constant Analysis of Dibenzyloxy Disulfides , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136:1924-1931 510 Marshall DL, Gryn’ova G, Coote ML, Barker PJ, Blanksby SJ (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 Klinska M, Smith LM, Gryn’ova G, Banwell MG, Coote ML (2015). Experimental Demonstration of pH-Dependent Electrostatic Catalysis of Radical Reactions , Chem. Sci. 6(10):5623-5627 508 Pahnke K, Brandt J, Gryn’ova G, Lindner P, Schweins R, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C (2015). Entropy-Driven Chain Effects on Ligation Chemistry , Chem. Sci. 6(2):1061-1074 509 2014 Chen R, Gryn’ova G, Wu Y, Coote ML, Chung S (2014). Mechanisms and Energetics of Potassium Channel Block by Local Anesthetics and Antifungal Agents , Biochemistry 53(43):6786-6792 512 Paine MR, Gryn’ova G, Coote ML, Barker PJ, Blanksby SJ (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 Gryn’ova G, Coote ML (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 Gryn’ova G, Marshall DL, Blanksby SJ, Coote ML (2013). Switching Radical Stability by pH-Induced Orbital Conversion , Nature Chem 5(6):474-481 516 Gryn’ova G, Lin CY, Coote ML (2013). Which Side-Reactions Compromise Nitroxide Mediated Polymerization? , Polym. Chem. 4(13):3744 515 Gryn’ova G, Guliashvili T, Matyjaszewski K, Coote ML (2013). Computational Evaluation of the Sulfonyl Radical as a Universal Leaving Group for RAFT Polymerisation , Aust. J. Chem. 66(3):308 517 2012 Filippov A, Chernikova E, Golubev V, Grynova G, Yeh C, L. M (2012). Use of Spin Trap Technique for Kinetic Investigation of Elementary Steps of RAFT-Polymerization , Nitroxides – Theory, Experiment and Applications,InTech 526 Gryn’ova G, Ingold KU, Coote ML (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 Gryn’ova G, Barakat JM, Blinco JP, Bottle SE, Coote ML (2012). Computational Design of Cyclic Nitroxides as Efficient Redox Mediators for Dye-Sensitized Solar Cells , Chem. Eur. J. 18(24):7582-7593 519 Abreu CMR, Mendonça PV, Serra AC, Coelho JFJ, Popov AV, Gryn’ova G, Coote ML, Guliashvili T (2012). Reversible Addition–Fragmentation Chain Transfer Polymerization of Vinyl Chloride , Macromolecules 45(5):2200-2208 520 2011 Golubev VB, Filippov AN, Chernikova EV, Coote ML, Lin CY, Gryn’ova G (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 Kholod YA, Gryn’ova G, Gorb L, Hill FC, Leszczynski J (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 Gryn’ova G, Hodgson JL, Coote ML (2011). Revising the Mechanism of Polymer Autooxidation , Org. Biomol. Chem. 9(2):480-490 521 Marshall DL, Christian ML, Gryn’ova G, Coote ML, Barker PJ, Blanksby SJ (2011). Oxidation of 4-Substituted TEMPO Derivatives Reveals Modifications at the 1- and 4-Positions , Org. Biomol. Chem. 9(13):4936 523 2010
2014 Gryn’ova G, Coote ML (2014). Radical orbital switching , Patent Application No. WO2014121327 A1 (left at PCT stage) 1127
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