ArticleJournal of computational chemistry2025
Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap Model.
Article in Journal of computational chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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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
1 citing paper in PubMed.
- Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap Model.Journal of computational chemistry · 2025Article
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5 authors.
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Abstract
Hydrogen bonds are essential chemical interactions that occur in various systems, playing a critical role in determining molecular structures, dynamics, and reactivity. While quantum chemical methods such as Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbital (NBO) analyses have traditionally been used to explore these interactions, this work introduces the Chemical Bond Overlap (OP) Model and its topological (TOP) descriptors as a complementary approach for analyzing orbital overlap contributions in hydrogen bonds. The study reports a systematic investigation of a series of hydrogen-bonded systems (a total of 25 systems), demonstrating how electron-donating and electron-withdrawing substituents influence bond characteristics. The results reveal that OP/TOP effectively captures the effects of electronic perturbations, offering insights into the
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Registered trials
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