Supporting Information
Supporting Information File 1: Additional figures, complete set of computed data and geometries of the studied monomers and dimers. | ||
Format: PDF | Size: 3.5 MB | Download |
Cite the Following Article
Steric “attraction”: not by dispersion alone
Ganna Gryn’ova and Clémence Corminboeuf
Beilstein J. Org. Chem. 2018, 14, 1482–1490.
https://doi.org/10.3762/bjoc.14.125
How to Cite
Gryn’ova, G.; Corminboeuf, C. Beilstein J. Org. Chem. 2018, 14, 1482–1490. doi:10.3762/bjoc.14.125
Download Citation
Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window
below.
Citation data in RIS format can be imported by all major citation management software, including EndNote,
ProCite, RefWorks, and Zotero.
Presentation Graphic
Picture with graphical abstract, title and authors for social media postings and presentations. | ||
Format: PNG | Size: 869.8 KB | Download |
Citations to This Article
Up to 20 of the most recent references are displayed here.
Scholarly Works
- Sechi, B.; Tsetskhladze, N.; Connell, L.; Dessì, A.; Dallocchio, R.; Chankvetadze, B.; Cossu, S.; Khatiashvili, T.; Mamane, V.; Peluso, P. Unravelling dispersion forces in liquid-phase enantioseparation. Part II: Planar chiral 1-(iodoethynyl)-3-arylferrocenes. Analytica chimica acta 2024, 1327, 343160. doi:10.1016/j.aca.2024.343160
- Dane, C.; Cumbers, G. A.; Allen, B.; Montgomery, A. P.; Danon, J. J.; Kassiou, M. Unlocking therapeutic potential: the role of adamantane in drug discovery. Australian Journal of Chemistry 2024, 77. doi:10.1071/ch24075
- Li, J.; Peng, X.; Yin, S.; Wang, C.; Mo, Y. Metastability of π-π stacking between the closed-shell ions of like charges. Chinese Journal of Structural Chemistry 2024, 43, 100213. doi:10.1016/j.cjsc.2023.100213
- 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
- Gray, M.; Herbert, J. M. Density functional theory for van der Waals complexes: Size matters. Annual Reports in Computational Chemistry; Elsevier, 2024; pp 1–61. doi:10.1016/bs.arcc.2024.03.001
- 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
- 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