ReviewThe journal of physical chemistry letters2025
Modeling Raman Spectra in Complex Environments: From Solutions to Surface-Enhanced Raman Scattering.
Review in The journal of physical chemistry letters, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 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
3 citing papers in PubMed.
- Simulating the Electronic Circular Dichroism of Chlorophyll b in the Presence of a Gold Nanosphere.The journal of physical chemistry. B · 2026Article
- Fully Atomistic Modeling in Computational Spectroscopy: Tryptophan in Aqueous Solution as a Test Case.The journal of physical chemistry. A · 2025Article
- Engineering Nanomaterials for Raman Bioimaging and Theranostics: Advances, Challenges, and Future Directions.ACS omega · 2025Review
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This perspective highlights the essential physicochemical factors required for accurate computational modeling of Raman and Resonance Raman signals in complex environments. It highlights the theoretical challenges for obtaining a balanced quantum mechanical description of the molecular target, integration of target-environment interactions into the Hamiltonian, and explicit treatment of strong interactions such as hydrogen bonding. The dynamical sampling of solute-solvent phase space and the incorporation of plasmonic effects for Surface-Enhanced Raman Scattering (SERS) are also addressed. Through selected applications, we illustrate how these factors influence Raman signals and propose a framework to tackle these challenges effectively, advancing the reliability of theoretical Raman spectroscopy in real-world scenarios.
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Registered trials
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