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Controlling and predicting alkyl-onium electronic structure.
Tompkins FKT, Parker LG, Fogarty RM, Seymour JM, Gousseva E, Grinter DC, Palgrave RG, Smith CD, Bennett RA, Matthews RP, Lovelock KRJ. Tompkins FKT, et al. Among authors: palgrave rg. Chem Commun (Camb). 2024 Sep 24;60(77):10756-10759. doi: 10.1039/d4cc03388d. Chem Commun (Camb). 2024. PMID: 39248075
Experimental validation of calculated atomic charges in ionic liquids.
Fogarty RM, Matthews RP, Ashworth CR, Brandt-Talbot A, Palgrave RG, Bourne RA, Vander Hoogerstraete T, Hunt PA, Lovelock KRJ. Fogarty RM, et al. Among authors: palgrave rg. J Chem Phys. 2018 May 21;148(19):193817. doi: 10.1063/1.5011662. J Chem Phys. 2018. PMID: 30307226 Free article.
Experimental measurement and prediction of ionic liquid ionisation energies.
Seymour JM, Gousseva E, Large AI, Clarke CJ, Licence P, Fogarty RM, Duncan DA, Ferrer P, Venturini F, Bennett RA, Palgrave RG, Lovelock KRJ. Seymour JM, et al. Among authors: palgrave rg. Phys Chem Chem Phys. 2021 Sep 29;23(37):20957-20973. doi: 10.1039/d1cp02441h. Phys Chem Chem Phys. 2021. PMID: 34545382
Atomic charges of sulfur in ionic liquids: experiments and calculations.
Fogarty RM, Rowe R, Matthews RP, Clough MT, Ashworth CR, Brandt A, Corbett PJ, Palgrave RG, Smith EF, Bourne RA, Chamberlain TW, Thompson PBJ, Hunt PA, Lovelock KRJ. Fogarty RM, et al. Among authors: palgrave rg. Faraday Discuss. 2017 Dec 14;206:183-201. doi: 10.1039/c7fd00155j. Faraday Discuss. 2017. PMID: 29068464 Free article.
NEXAFS spectroscopy of ionic liquids: experiments versus calculations.
Fogarty RM, Matthews RP, Clough MT, Ashworth CR, Brandt-Talbot A, Corbett PJ, Palgrave RG, Bourne RA, Chamberlain TW, Vander Hoogerstraete T, Thompson PBJ, Hunt PA, Besley NA, Lovelock KRJ. Fogarty RM, et al. Among authors: palgrave rg. Phys Chem Chem Phys. 2017 Nov 29;19(46):31156-31167. doi: 10.1039/c7cp07143d. Phys Chem Chem Phys. 2017. PMID: 29139509 Free article.
Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory.
Gousseva E, Towers Tompkins FK, Seymour JM, Parker LG, Clarke CJ, Palgrave RG, Bennett RA, Grau-Crespo R, Lovelock KRJ. Gousseva E, et al. Among authors: palgrave rg. J Phys Chem B. 2024 May 23;128(20):5030-5043. doi: 10.1021/acs.jpcb.4c00362. Epub 2024 May 10. J Phys Chem B. 2024. PMID: 38727250 Free PMC article.
58 results