Peer-reviewed reviews and perspectives

G. J. Lauter, A. Calzolari, G. Gryn’ova, Is the Assignment of Interlayer Stacking in Two-Dimensional Covalent Organic Frameworks Reliable? Under review.

7. S. Back*, A. Aspuru-Guzik, M. Ceriotti, G. Gryn'ova, B. Grzybowski, G. H. Gu, J. Hein, K. Hippalgaonkar, R. Hormazabal, Y. Jung, S. Kim, W. Y. Kim, M. Moosavi, J. Noh, C. Park, J. Schrier, P. Schwaller, K. Tsuda, T. Vegge, A. von Lilienfeld, A. Walsh, Accelerated Chemical Science with AI, Digit. Discov. 2024, 3, 23 (perspective).

6. M. Ernst, J. D. Evans, G. Gryn’ova*, Host-Guest Interactions in Framework Materials: Insights from Modelling, Chem. Phys. Rev. 2023, 4, 041303 (review, Featured Article – Editors’ choice).

5. R. Fedorov, G. Gryn’ova*, Unlocking the Potential: Predicting Redox Behavior of Organic Molecules, from Linear Fits to Neural Networks, J. Chem. Theory Comput. 2023, 19, 4796-4814 (review).

4. A. Piras, C. Ehlert, G. Gryn’ova*, Sensing and Sensitivity: Computational Chemistry of Graphene-Based Sensors, WIREs Comput. Molec. Sci. 2021, 11, e1526 (focus article, featured on the cover).

3. G. Gryn’ova, C. Corminboeuf*, Conceptual Framework of Organic Electronics, Chimia 2019, 73, 245-251 (perspective).

2. 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 (perspective).

1. G. Gryn’ova, M. L. Coote*, C. Corminboeuf*, Theory and Practice of Uncommon Molecular Electronic Configurations, WIREs Comput. Molec. Sci. 2015, 5, 440-459 (advanced review).

Book chapters

1. 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.