Overview
Physical organic chemistry is the study of the relationship between chemical structure and reactivity in organic molecules, combining principles of physical chemistry with organic synthesis to understand reaction mechanisms, molecular properties, and structure-activity relationships. Research published in New Developments in Chemistry on this topic emphasizes computational and spectroscopic approaches to characterizing organic compounds. The journal has featured density functional theory (DFT) calculations paired with vibrational spectroscopy to elucidate molecular structures and properties of heterocyclic compounds, including studies of thioxotetrahydropyrimidine derivatives, furan-based hydrazides, and perimidine systems. These investigations employ ab initio methods to predict vibrational frequencies, analyze molecular geometries, and calculate properties such as first-order hyperpolarizability, which relates to nonlinear optical behavior. Additionally, the journal has published work on the physical chemistry of adsorption processes, examining how complex oxide materials interact with organic dyes in aqueous solutions. This research contributes to fundamental understanding of how molecular architecture influences chemical and physical behavior, with implications for materials design, pharmaceutical development, and environmental remediation technologies. The integration of theoretical predictions with experimental spectroscopic validation represents a core methodology in modern physical organic chemistry.
Research published in this journal
5 peer-reviewed articles, ranked by relevance. Each links to its DOI.
How this research is being cited
The 5 articles above have been cited 24 times in the scholarly literature. Citation data via OpenAlex and Crossref, updated Jun 2026.
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P. S. Singh et al. · 2025 · Journal of Molecular Structure
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B. Revanna et al. · 2025 · Journal of Molecular Structure
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2025 · Journal of Molecular Structure
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2025 · Journal of Molecular Structure
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Soukaina El Bourachdi et al. · 2024 · Journal of Molecular Structure
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Th.Gomti Devi et al. · 2024 · Journal of Molecular Liquids
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2024 · Journal of Molecular Structure
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2024 · Inorganic Chemistry Communications
A sample of recent works citing this journal's research on Physical Organic Chemistry, linking to each citing work.