Pickard CJ - Search Results

1

Core-level spectroscopy calculation and the plane wave pseudopotential method.

Gao SP, Pickard CJ, Perlov A, Milman V. Gao SP, et al. Among authors: pickard cj. J Phys Condens Matter. 2009 Mar 11;21(10):104203. doi: 10.1088/0953-8984/21/10/104203. Epub 2009 Feb 10. J Phys Condens Matter. 2009. PMID: 21817423

2

First-principles calculation of spectral features, chemical shift and absolute threshold of ELNES and XANES using a plane wave pseudopotential method.

Mizoguchi T, Tanaka I, Gao SP, Pickard CJ. Mizoguchi T, et al. Among authors: pickard cj. J Phys Condens Matter. 2009 Mar 11;21(10):104204. doi: 10.1088/0953-8984/21/10/104204. Epub 2009 Feb 10. J Phys Condens Matter. 2009. PMID: 21817424

3

The 2021 room-temperature superconductivity roadmap.

Boeri L, Hennig R, Hirschfeld P, Profeta G, Sanna A, Zurek E, Pickett WE, Amsler M, Dias R, Eremets MI, Heil C, Hemley RJ, Liu H, Ma Y, Pierleoni C, Kolmogorov AN, Rybin N, Novoselov D, Anisimov V, Oganov AR, Pickard CJ, Bi T, Arita R, Errea I, Pellegrini C, Requist R, Gross EKU, Margine ER, Xie SR, Quan Y, Hire A, Fanfarillo L, Stewart GR, Hamlin JJ, Stanev V, Gonnelli RS, Piatti E, Romanin D, Daghero D, Valenti R. Boeri L, et al. Among authors: pickard cj. J Phys Condens Matter. 2022 Mar 3;34(18). doi: 10.1088/1361-648X/ac2864. J Phys Condens Matter. 2022. PMID: 34544070 Review.

4

Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures.

Li XZ, Walker B, Probert MI, Pickard CJ, Needs RJ, Michaelides A. Li XZ, et al. Among authors: pickard cj. J Phys Condens Matter. 2013 Feb 27;25(8):085402. doi: 10.1088/0953-8984/25/8/085402. Epub 2013 Jan 30. J Phys Condens Matter. 2013. PMID: 23360786 Free article.

5

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

6

Ab initio random structure searching.

Pickard CJ, Needs RJ. Pickard CJ, et al. J Phys Condens Matter. 2011 Feb 9;23(5):053201. doi: 10.1088/0953-8984/23/5/053201. Epub 2011 Jan 5. J Phys Condens Matter. 2011. PMID: 21406903

7

Stable phases of iron at terapascal pressures.

Pickard CJ, Needs RJ. Pickard CJ, et al. J Phys Condens Matter. 2009 Nov 11;21(45):452205. doi: 10.1088/0953-8984/21/45/452205. Epub 2009 Oct 21. J Phys Condens Matter. 2009. PMID: 21694005

8

Reactions of xenon with iron and nickel are predicted in the Earth's inner core.

Zhu L, Liu H, Pickard CJ, Zou G, Ma Y. Zhu L, et al. Among authors: pickard cj. Nat Chem. 2014 Jul;6(7):644-8. doi: 10.1038/nchem.1925. Epub 2014 Apr 20. Nat Chem. 2014. PMID: 24950336

9

High-pressure phases of silane.

Pickard CJ, Needs RJ. Pickard CJ, et al. Phys Rev Lett. 2006 Jul 28;97(4):045504. doi: 10.1103/PhysRevLett.97.045504. Epub 2006 Jul 27. Phys Rev Lett. 2006. PMID: 16907590

10

Density functional study of the 13C NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes.

Zurek E, Pickard CJ, Walczak B, Autschbach J. Zurek E, et al. Among authors: pickard cj. J Phys Chem A. 2006 Nov 2;110(43):11995-2004. doi: 10.1021/jp064540f. J Phys Chem A. 2006. PMID: 17064188

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