Structural Characteristics, Electronic Properties, and Coupling Behavior of 12-4-12, 12-3-12, 12-2-12 Cationic Surfactants: A First-Principles Computational Investigation and Experimental Raman Spectroscopy

In this study, we present a comprehensive first-principles computational investigation focused on the structural characteristics, electronic properties, and coupling integrations of three cationic Gemini surfactants: 12-4-12, 12-3-12, and 12-2-12 ((CH₃(CH₂)₁₁)(CH<sub...

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Bibliografiske detaljer

Principais autores:	Shiru Lin, Daisy Woodring, Richard D. Sheardy, Nasrin Mirsaleh-Kohan
Format:	Artigo
Sprog:	Inglês
Udgivet:	MDPI AG 2024-06-01
Serier:	Molecules
Fag:	surfactant structure Density Functional Theory (DFT) calculations Grand Canonical Monte Carlo (GCMC) simulations
Online adgang:	https://www.mdpi.com/1420-3049/29/12/2880
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