208 related articles for article (PubMed ID: 26697868)
1. Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function.
Prill D; Juhás P; Billinge SJ; Schmidt MU
Acta Crystallogr A Found Adv; 2016 Jan; 72(Pt 1):62-72. PubMed ID: 26697868
[TBL] [Abstract][Full Text] [Related]
2. Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing.
Schlesinger C; Habermehl S; Prill D
J Appl Crystallogr; 2021 Jun; 54(Pt 3):776-786. PubMed ID: 34188612
[TBL] [Abstract][Full Text] [Related]
3. Ambiguous structure determination from powder data: four different structural models of 4,11-di-fluoro-quinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D.
Schlesinger C; Fitterer A; Buchsbaum C; Habermehl S; Chierotti MR; Nervi C; Schmidt MU
IUCrJ; 2022 Jul; 9(Pt 4):406-424. PubMed ID: 35844476
[TBL] [Abstract][Full Text] [Related]
4. Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations.
Schlesinger C; Hammer SM; Gorelik TE; Schmidt MU
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2020 Jun; 76(Pt 3):353-365. PubMed ID: 32831256
[TBL] [Abstract][Full Text] [Related]
5. Rietveld refinement of a wrong crystal structure.
Buchsbaum C; Schmidt MU
Acta Crystallogr B; 2007 Dec; 63(Pt 6):926-32. PubMed ID: 18004047
[TBL] [Abstract][Full Text] [Related]
6. Refinement of protein crystal structures using energy restraints derived from linear-scaling quantum mechanics.
Yu N; Yennawar HP; Merz KM
Acta Crystallogr D Biol Crystallogr; 2005 Mar; 61(Pt 3):322-32. PubMed ID: 15735343
[TBL] [Abstract][Full Text] [Related]
7. Crystal engineering on industrial diaryl pigments using lattice energy minimizations and X-ray powder diffraction.
Schmidt MU; Dinnebier RE; Kalkhof H
J Phys Chem B; 2007 Aug; 111(33):9722-32. PubMed ID: 17672490
[TBL] [Abstract][Full Text] [Related]
8. Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions.
Habermehl S; Mörschel P; Eisenbrandt P; Hammer SM; Schmidt MU
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2014 Apr; 70(Pt 2):347-59. PubMed ID: 24675604
[TBL] [Abstract][Full Text] [Related]
9. Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9.
Schmidt MU; Brühne S; Wolf AK; Rech A; Brüning J; Alig E; Fink L; Buchsbaum C; Glinnemann J; van de Streek J; Gozzo F; Brunelli M; Stowasser F; Gorelik T; Mugnaioli E; Kolb U
Acta Crystallogr B; 2009 Apr; 65(Pt 2):189-99. PubMed ID: 19299875
[TBL] [Abstract][Full Text] [Related]
10. The first protein crystal structure determined from high-resolution X-ray powder diffraction data: a variant of T3R3 human insulin-zinc complex produced by grinding.
Von Dreele RB; Stephens PW; Smith GD; Blessing RH
Acta Crystallogr D Biol Crystallogr; 2000 Dec; 56(Pt 12):1549-53. PubMed ID: 11092920
[TBL] [Abstract][Full Text] [Related]
11. Total-scattering pair-distribution function of organic material from powder electron diffraction data.
Gorelik TE; Schmidt MU; Kolb U; Billinge SJ
Microsc Microanal; 2015 Apr; 21(2):459-71. PubMed ID: 25510245
[TBL] [Abstract][Full Text] [Related]
12. Towards the extraction of the crystal cell parameters from pair distribution function profiles.
Guccione P; Diacono D; Toso S; Caliandro R
IUCrJ; 2023 Sep; 10(Pt 5):610-623. PubMed ID: 37668218
[TBL] [Abstract][Full Text] [Related]
13. X-ray powder diffraction structure determination of gamma-butyrolactone at 180 K: phase-problem solution from the lattice energy minimization with two independent molecules.
Papoular RJ; Allouchi H; Chagnes A; Dzyabchenko A; Carré B; Lemordant D; Agafonov V
Acta Crystallogr B; 2005 Jun; 61(Pt 3):312-20. PubMed ID: 15914896
[TBL] [Abstract][Full Text] [Related]
14. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite.
Lee S; Xu H
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2019 Apr; 75(Pt 2):160-167. PubMed ID: 32830740
[TBL] [Abstract][Full Text] [Related]
15. Powder diffraction study of a coordination polymer comprised of rigid building blocks: [Rh2(O2CCH3)4.mu2-Se2C5H8-Se,Se']infinity.
Dikarev EV; Shpanchenko RV; Andreini KW; Block E; Jin J; Petrukhina MA
Inorg Chem; 2004 Sep; 43(18):5558-63. PubMed ID: 15332807
[TBL] [Abstract][Full Text] [Related]
16. Solution-phase structural characterization of supramolecular assemblies by molecular diffraction.
O'Donnell JL; Zuo X; Goshe AJ; Sarkisov L; Snurr RQ; Hupp JT; Tiede DM
J Am Chem Soc; 2007 Feb; 129(6):1578-85. PubMed ID: 17284002
[TBL] [Abstract][Full Text] [Related]
17. Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data.
Solovyov LA
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2016 Oct; 72(Pt 5):738-743. PubMed ID: 27698315
[TBL] [Abstract][Full Text] [Related]
18. High-resolution powder X-ray data reveal the T(6) hexameric form of bovine insulin.
Margiolaki I; Giannopoulou AE; Wright JP; Knight L; Norrman M; Schluckebier G; Fitch AN; Von Dreele RB
Acta Crystallogr D Biol Crystallogr; 2013 Jun; 69(Pt 6):978-90. PubMed ID: 23695242
[TBL] [Abstract][Full Text] [Related]
19. Solid-state characterization of amorphous and mesomorphous calcium ketoprofen.
Atassi F; Mao C; Masadeh AS; Byrn SR
J Pharm Sci; 2010 Sep; 99(9):3684-97. PubMed ID: 19780126
[TBL] [Abstract][Full Text] [Related]
20. Characterization of complicated new polymorphs of chlorothalonil by X-ray diffraction and computer crystal structure prediction.
Tremayne M; Grice L; Pyatt JC; Seaton CC; Kariuki BM; Tsui HH; Price SL; Cherryman JC
J Am Chem Soc; 2004 Jun; 126(22):7071-81. PubMed ID: 15174878
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]