ArticleChemical science2015
Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics.
Article in Chemical science, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Revealing Kinetic Features of a Macrocyclization Reaction Using Machine-Learning-Augmented Data.Angewandte Chemie (International ed. in English) · 2025Article
- Stoichiometry validation of supramolecular complexes with a hydrocarbon cage host by van 't Hoff analyses.Nature communications · 2023Article
- Modular synthesis, host-guest complexation and solvation-controlled relaxation of nanohoops with donor-acceptor structures.Chemical science · 2022Article
- Target-oriented design of helical nanotube molecules for rolled incommensurate bilayers.Communications chemistry · 2022Article
- A hybrid molecular peapod of spNature communications · 2021Article
- [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
- The Supramolecular Chemistry of Cycloparaphenylenes and Their Analogs.Frontiers in chemistry · 2019Review
- Concyclic CH-π arrays for single-axis rotations of a bowl in a tube.Nature communications · 2018Article
- Ratchet-free solid-state inertial rotation of a guest ball in a tight tubular host.Nature communications · 2018Article
- Chiral intertwined spirals and magnetic transition dipole moments dictated by cylinder helicity.Proceedings of the National Academy of Sciences of the United States of America · 2017Article
- Cycloparaphenylene as a molecular porous carbon solid with uniform pores exhibiting adsorption-induced softness.Chemical science · 2016Article
- Reply to the 'Comment on "Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics"' by E. M. Cabaleiro-Lago, J. Rodriguez-Otero and A. Gil,Chemical science · 2016Article
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8 authors.
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No grant is acknowledged in the PubMed record.
Abstract
The thermodynamics and dynamics of a carbonaceous molecular bearing comprising a belt-persistent tubular molecule and a fullerene molecule have been investigated using density functional theory (DFT). Among ten representative methods, two DFT methods afforded an association energy that reasonably reproduced the experimental enthalpy of -12.5 kcal mol
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.