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Page 1
Computationally Directed Discovery of MoBi2.
Altman AB, Tamerius AD, Koocher NZ, Meng Y, Pickard CJ, Walsh JPS, Rondinelli JM, Jacobsen SD, Freedman DE. Altman AB, et al. Among authors: pickard cj. J Am Chem Soc. 2021 Jan 13;143(1):214-222. doi: 10.1021/jacs.0c09419. Epub 2020 Dec 29. J Am Chem Soc. 2021. PMID: 33372790 Free article.
High-Pressure Polymorphs of LaHO with Anion Coordination Reversal.
Broux T, Ubukata H, Pickard CJ, Takeiri F, Kobayashi G, Kawaguchi S, Yonemura M, Goto Y, Tassel C, Kageyama H. Broux T, et al. Among authors: pickard cj. J Am Chem Soc. 2019 Jun 5;141(22):8717-8720. doi: 10.1021/jacs.9b03320. Epub 2019 May 22. J Am Chem Soc. 2019. PMID: 31099572
Crystal structure of ammonia monohydrate phase II.
Fortes AD, Suard E, Lemée-Cailleau MH, Pickard CJ, Needs RJ. Fortes AD, et al. Among authors: pickard cj. J Am Chem Soc. 2009 Sep 23;131(37):13508-15. doi: 10.1021/ja9052569. J Am Chem Soc. 2009. PMID: 19754191
Time averaging of NMR chemical shifts in the MLF peptide in the solid state.
De Gortari I, Portella G, Salvatella X, Bajaj VS, van der Wel PC, Yates JR, Segall MD, Pickard CJ, Payne MC, Vendruscolo M. De Gortari I, et al. Among authors: pickard cj. J Am Chem Soc. 2010 May 5;132(17):5993-6000. doi: 10.1021/ja9062629. J Am Chem Soc. 2010. PMID: 20387894
High-temperature phase transitions in dense germanium.
Kelsall LC, Peña-Alvarez M, Martinez-Canales M, Binns J, Pickard CJ, Dalladay-Simpson P, Howie RT, Gregoryanz E. Kelsall LC, et al. Among authors: pickard cj. J Chem Phys. 2021 May 7;154(17):174702. doi: 10.1063/5.0047359. J Chem Phys. 2021. PMID: 34241079
A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine.
Smalley CJH, Hoskyns HE, Hughes CE, Johnstone DN, Willhammar T, Young MT, Pickard CJ, Logsdail AJ, Midgley PA, Harris KDM. Smalley CJH, et al. Among authors: pickard cj. Chem Sci. 2022 Mar 30;13(18):5277-5288. doi: 10.1039/d1sc06467c. eCollection 2022 May 11. Chem Sci. 2022. PMID: 35655549 Free PMC article.
188 results