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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.
Kühne TD, Iannuzzi M, Del Ben M, Rybkin VV, Seewald P, Stein F, Laino T, Khaliullin RZ, Schütt O, Schiffmann F, Golze D, Wilhelm J, Chulkov S, Bani-Hashemian MH, Weber V, Borštnik U, Taillefumier M, Jakobovits AS, Lazzaro A, Pabst H, Müller T, Schade R, Guidon M, Andermatt S, Holmberg N, Schenter GK, Hehn A, Bussy A, Belleflamme F, Tabacchi G, Glöß A, Lass M, Bethune I, Mundy CJ, Plessl C, Watkins M, VandeVondele J, Krack M, Hutter J. Kühne TD, et al. Among authors: schiffmann f. J Chem Phys. 2020 May 21;152(19):194103. doi: 10.1063/5.0007045. J Chem Phys. 2020. PMID: 33687235
Synthesis of a covalent monolayer sheet by photochemical anthracene dimerization at the air/water interface and its mechanical characterization by AFM indentation.
Payamyar P, Kaja K, Ruiz-Vargas C, Stemmer A, Murray DJ, Johnson CJ, King BT, Schiffmann F, Vandevondele J, Renn A, Götzinger S, Ceroni P, Schütz A, Lee LT, Zheng Z, Sakamoto J, Schlüter AD. Payamyar P, et al. Among authors: schiffmann f. Adv Mater. 2014 Apr 2;26(13):2052-8. doi: 10.1002/adma.201304705. Epub 2013 Dec 17. Adv Mater. 2014. PMID: 24347495
Conformer interconversion in a switchable porous organic cage.
Jelfs KE, Schiffmann F, Jones JT, Slater B, Cora F, Cooper AI. Jelfs KE, et al. Among authors: schiffmann f. Phys Chem Chem Phys. 2011 Dec 7;13(45):20081-5. doi: 10.1039/c1cp22527h. Epub 2011 Oct 14. Phys Chem Chem Phys. 2011. PMID: 22002581
A polar corundum oxide displaying weak ferromagnetism at room temperature.
Li MR, Adem U, McMitchell SR, Xu Z, Thomas CI, Warren JE, Giap DV, Niu H, Wan X, Palgrave RG, Schiffmann F, Cora F, Slater B, Burnett TL, Cain MG, Abakumov AM, van Tendeloo G, Thomas MF, Rosseinsky MJ, Claridge JB. Li MR, et al. Among authors: schiffmann f. J Am Chem Soc. 2012 Feb 29;134(8):3737-47. doi: 10.1021/ja208395z. Epub 2012 Feb 15. J Am Chem Soc. 2012. PMID: 22280499 Free PMC article.
11 results