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Correction: Structure, dynamic, and free energy analyses of 5-hydroxymethylfurfural in aprotic solvents and imidazolium ionic liquids using all-atom molecular dynamics simulations

Sweta Jha and Praveenkumar Sappidi *
Department of Chemical Engineering, Indian Institute of Technology Jodhpur, Jodhpur-342037, India. E-mail: praveenks@iitj.ac.in; Tel: +91-291-280 1712

Received 22nd January 2025 , Accepted 22nd January 2025

First published on 29th January 2025


Abstract

Correction for ‘Structure, dynamic, and free energy analyses of 5-hydroxymethylfurfural in aprotic solvents and imidazolium ionic liquids using all-atom molecular dynamics simulations’ by Sweta Jha et al., Phys. Chem. Chem. Phys., 2024, 26, 28417–28430, https://doi.org/10.1039/D4CP02914C.


Some of the captions of Fig. 1 in the original article were incorrectly labelled and the chemical structures of (n) HSO4 and (o) NO3 were incorrectly drawn. The correct Fig. 1 and revised caption are provided below.
image file: d5cp90024g-f1.tif
Fig. 1 Chemical structures of (a) AN, (b) AT, (c) DI, (d) DMA, (e) DMF, (f) DMSO, (g) GBL, (h) GVL, (i) HMPA, (j) NMP, (k) PC, (l) SF, (m) BIS, (n) HSO4, (o) NO3, (p) PF6, (q) TFS, (r) BF4, (s) BMIM, and (t) 5-HMF. Molecular models of (i) AN, (ii) AT, (iii) DI, (iv) DMA, (v) DMF, (vi) DMSO, (vii) GBL, (viii) GVL, (ix) HMPA, (x) NMP, (xi) PC, (xii) SF, (xiii) BIS, (xiv) HSO4, (xv) NO3, (xvi) PF6, (xvii) TFS, (xviii) BF4, (xix) BMIM, and (xx) 5-HMF. Color codes: – red: oxygen, white: hydrogen, gray: carbon, dark blue: nitrogen, pink: boron, light blue: fluorine, yellow: sulfur, orange: phosphorus.

This change does not impact on the results and conclusions.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.


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