Steric “attraction”: not by dispersion alone

Scholarly Works

• Rummel, L.; Schreiner, P. R. Advances and Prospects in Understanding London Dispersion Interactions in Molecular Chemistry. Angewandte Chemie 2024, 136. doi:10.1002/ange.202316364
• Rummel, L.; Schreiner, P. R. Advances and Prospects in Understanding London Dispersion Interactions in Molecular Chemistry. Angewandte Chemie (International ed. in English) 2024, 63, e202316364. doi:10.1002/anie.202316364
• Groslambert, L.; Cornaton, Y.; Ditte, M.; Aubert, E.; Pale, P.; Tkatchenko, A.; Djukic, J.-P.; Mamane, V. Affinity of Telluronium Chalcogen Bond Donors for Lewis Bases in Solution: A Critical Experimental-Theoretical Joint Study. Chemistry (Weinheim an der Bergstrasse, Germany) 2023, 30, e202302933. doi:10.1002/chem.202302933
• Li, J.; Peng, X.; Yin, S.; Wang, C.; Mo, Y. On the metastability of π-π stacking between closed-shell ions of like charges. Chinese Journal of Structural Chemistry 2023, 100213. doi:10.1016/j.cjsc.2023.100213
• Carter-Fenk, K.; Liu, M.; Pujal, L.; Loipersberger, M.; Tsanai, M.; Vernon, R. M.; Forman-Kay, J. D.; Head-Gordon, M.; Heidar-Zadeh, F.; Head-Gordon, T. The Energetic Origins of Pi-Pi Contacts in Proteins. Journal of the American Chemical Society 2023. doi:10.1021/jacs.3c09198
• Sechi, B.; Dessì, A.; Dallocchio, R.; Tsetskhladze, N.; Chankvetadze, B.; Pérez-Baeza, M.; Cossu, S.; Jibuti, G.; Mamane, V.; Peluso, P. Unravelling dispersion forces in liquid-phase enantioseparation. Part I: Impact of ferrocenyl versus phenyl groups. Analytica chimica acta 2023, 1278, 341725. doi:10.1016/j.aca.2023.341725
• Fokin, A. A. Long but Strong C-C Single Bonds: Challenges for Theory. Chemical record (New York, N.Y.) 2023, 24, e202300170. doi:10.1002/tcr.202300170
• Petrushenko, I.; Petrushenko, K. A nanoboat molecule as a promising adsorbent for molecular trapping: Theoretical insights. Physica E: Low-dimensional Systems and Nanostructures 2023, 148, 115632. doi:10.1016/j.physe.2022.115632
• Mráziková, K.; Kruse, H.; Mlýnský, V.; Auffinger, P.; Šponer, J. Multiscale Modeling of Phosphate···π Contacts in RNA U-Turns Exposes Differences between Quantum-Chemical and AMBER Force Field Descriptions. Journal of chemical information and modeling 2022, 62, 6182–6200. doi:10.1021/acs.jcim.2c01064
• Cabaleiro-Lago, E. M.; Rodríguez-Otero, J.; Vázquez, S. A. Electrostatic penetration effects stand at the heart of aromatic π interactions. Physical chemistry chemical physics : PCCP 2022, 24, 8979–8991. doi:10.1039/d2cp00714b
• Petrushenko, I. K.; Ivanov, N. A.; Petrushenko, K. B. Theoretical Investigation of Carbon Dioxide Adsorption on Li+-Decorated Nanoflakes. Molecules (Basel, Switzerland) 2021, 26, 7688. doi:10.3390/molecules26247688
• Mráziková, K.; Šponer, J.; Mlýnský, V.; Auffinger, P.; Kruse, H. Short-Range Imbalances in the AMBER Lennard-Jones Potential for (Deoxy)Ribose···Nucleobase Lone-Pair···π Contacts in Nucleic Acids. Journal of chemical information and modeling 2021, 61, 5644–5657. doi:10.1021/acs.jcim.1c01047
• Petrushenko, I. K.; Tikhonov, N.; Petrushenko, K. Hydrogen adsorption on pillar[6]arene: A computational study. Physica E: Low-dimensional Systems and Nanostructures 2021, 130, 114719. doi:10.1016/j.physe.2021.114719
• Morgante, P.; Peverati, R. CLB18: A New Structural Database with Unusual Carbon–Carbon Long Bonds. Chemical Physics Letters 2021, 765, 138281. doi:10.1016/j.cplett.2020.138281
• Herbert, J. M.; Carter-Fenk, K. Electrostatics, Charge Transfer, and the Nature of the Halide-Water Hydrogen Bond. The journal of physical chemistry. A 2021, 125, 1243–1256. doi:10.1021/acs.jpca.0c11356
• Maier, S.; Donahue, J. P.; Jacobsen, H. Surprises with coordination geometries of cationic copper(I) complexes. Polyhedron 2021, 194, 114941. doi:10.1016/j.poly.2020.114941
• Karton, A. Catalysis on Pristine 2D Materials via Dispersion and Electrostatic Interactions. The journal of physical chemistry. A 2020, 124, 6977–6985. doi:10.1021/acs.jpca.0c05386
• Petrushenko, I.; Tikhonov, N.; Petrushenko, K. Graphene-BN-organic nanoflake complexes: DFT, IGM and SAPT0 insights. Diamond and Related Materials 2020, 107, 107905. doi:10.1016/j.diamond.2020.107905
• Kruse, H.; Mráziková, K.; D'Ascenzo, L.; Sponer, J.; Auffinger, P. Short but Weak: The Z-DNA Lone-Pair⋅⋅⋅π Conundrum Challenges Standard Carbon Van der Waals Radii. Angewandte Chemie (International ed. in English) 2020, 59, 16553–16560. doi:10.1002/anie.202004201
• Kruse, H.; Mrazikova, K.; D'Ascenzo, L.; Sponer, J.; Auffinger, P. Short but Weak: The Z‐DNA Lone‐Pair⋅⋅⋅π Conundrum Challenges Standard Carbon Van der Waals Radii. Angewandte Chemie 2020, 132, 16696–16703. doi:10.1002/ange.202004201

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