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Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
Hathwar VR, Thakur TS, Dubey R, Pavan MS, Row TN, Desiraju GR. Hathwar VR, et al. Among authors: desiraju gr. J Phys Chem A. 2011 Nov 17;115(45):12852-63. doi: 10.1021/jp2039866. Epub 2011 Aug 3. J Phys Chem A. 2011. PMID: 21809890
Crystal structure and prediction.
Thakur TS, Dubey R, Desiraju GR. Thakur TS, et al. Among authors: desiraju gr. Annu Rev Phys Chem. 2015 Apr;66:21-42. doi: 10.1146/annurev-physchem-040214-121452. Epub 2014 Nov 19. Annu Rev Phys Chem. 2015. PMID: 25422850
4-Hy-droxy-benzamide 1,4-dioxane hemisolvate.
Tothadi S, Desiraju GR. Tothadi S, et al. Among authors: desiraju gr. Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2661. doi: 10.1107/S160053681203437X. Epub 2012 Aug 8. Acta Crystallogr Sect E Struct Rep Online. 2012. PMID: 22969557 Free PMC article.
145 results