ArticleMolecules (Basel, Switzerland)2021
Pauling's Conceptions of Hybridization and Resonance in Modern Quantum Chemistry.
Article in Molecules (Basel, Switzerland), 2021. 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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Who cites it
7 citing papers in PubMed.
- Inconsistencies of Gaussian's "NBO 3.1" Module With Authentic Natural Population Analysis.Journal of computational chemistry · 2026Article
- AI-powered IC50 prediction for p53 inhibitors drug-target interaction via hybrid graph neural networks.Journal of computer-aided molecular design · 2025Article
- Machine-Learning-Based Design of Metallocene Catalysts for Controlled Olefin Copolymerization.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Towards a complete description of the reaction mechanisms between nitrenium ions and water.Journal of molecular modeling · 2024Article
- Critical role of electrons in the short lifetime of blue OLEDs.Nature communications · 2023Article
- Understanding chemistry: from "heuristic (soft) explanations and reasoning by analogy" to "quantum chemistry".Chemical science · 2022Review
- Two Sides of Quantum-Based Modeling of Enzyme-Catalyzed Reactions: Mechanistic and Electronic Structure Aspects of the Hydrolysis by Glutamate Carboxypeptidase.Molecules (Basel, Switzerland) · 2021Article
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Abstract
We employ the tools of natural bond orbital (NBO) and natural resonance theory (NRT) analysis to demonstrate the robustness, consistency, and accuracy with which Linus Pauling's qualitative conceptions of directional hybridization and resonance delocalization are manifested in all known variants of modern computational quantum chemistry methodology.
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