ArticleScientific reports2024
Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
7 citing papers in PubMed.
- DFT-guided molecular design of tetrameric self-assemblies based on curved bicyclo[3.3.1]nonane monomers with isocytosine tautomeric edges.Journal of computer-aided molecular design · 2026Article
- Elucidating the Solvent-Dependent Solvation and Structural Stability of Irinotecan: A Molecular Simulation Study.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
- Multi-field coupling enhanced plasmonic MoNature communications · 2026Article
- Depsipeptide Analogues of Gly-Ala-Gly: Proton Localization and Effects on Collision-Induced Dissociation.Journal of the American Society for Mass Spectrometry · 2026Article
- Significance of halogen bonding in the synergistic nucleation of iodine oxoacids and iodine oxides.Chemical science · 2025Article
- Halogen-Bond-MediatedThe journal of physical chemistry letters · 2025Article
- Cheminformatics-based screening and evaluation of phytochemicals as CDK2 inhibitors in colorectal cancer therapy.PloS one · 2025Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO
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