133 related articles for article (PubMed ID: 19461846)
1. Crystal structure prediction of organic pigments: quinacridone as an example.
Panina N; Leusen FJ; Janssen FF; Verwer P; Meekes H; Vlieg E; Deroover G
J Appl Crystallogr; 2007 Feb; 40(Pt 01):105-114. PubMed ID: 19461846
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Determination of the structure of the violet pigment C22H12Cl2N6O4 from a non-indexed X-ray powder diagram.
Schmidt MU; Ermrich M; Dinnebier RE
Acta Crystallogr B; 2005 Feb; 61(Pt 1):37-45. PubMed ID: 15659856
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. 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]
7. The determination of crystal structures of active pharmaceutical ingredients from X-ray powder diffraction data: a brief, practical introduction, with fexofenadine hydrochloride as example.
Brüning J; Schmidt MU
J Pharm Pharmacol; 2015 Jun; 67(6):773-81. PubMed ID: 25677117
[TBL] [Abstract][Full Text] [Related]
8. Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data.
van de Streek J; Brüning J; Ivashevskaya SN; Ermrich M; Paulus EF; Bolte M; Schmidt MU
Acta Crystallogr B; 2009 Apr; 65(Pt 2):200-11. PubMed ID: 19299876
[TBL] [Abstract][Full Text] [Related]
9. Modelling the crystal structure of the 2-hydronitronylnitroxide radical (HNN): observed and computer-generated polymorphs.
Filippini G; Gavezzotti A; Novoa JJ
Acta Crystallogr B; 1999 Aug; 55(Pt 4):543-553. PubMed ID: 10927396
[TBL] [Abstract][Full Text] [Related]
10. Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples.
Sherwood AM; Kargbo RB; Kaylo KW; Cozzi NV; Meisenheimer P; Kaduk JA
Acta Crystallogr C Struct Chem; 2022 Jan; 78(Pt 1):36-55. PubMed ID: 34982048
[TBL] [Abstract][Full Text] [Related]
11. 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
Chem Sci; 2022 May; 13(18):5277-5288. PubMed ID: 35655549
[TBL] [Abstract][Full Text] [Related]
12. Identifying and explaining vibrational modes of quinacridones
Squires AD; Zaczek AJ; Lewis RA; Korter TM
Phys Chem Chem Phys; 2020 Sep; 22(35):19672-19679. PubMed ID: 32830208
[TBL] [Abstract][Full Text] [Related]
13. gamma-Sodium gallate: a Rietveld refinement using X-ray powder diffraction.
Villafuerte-Castrejón ME; Bucio L; Sánchez-Arjona A; Duque J; Pomés R
Acta Crystallogr C; 2002 May; 58(Pt 5):i69-70. PubMed ID: 11983962
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions.
Habermehl S; Schlesinger C; Schmidt MU
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2022 Apr; 78(Pt 2):195-213. PubMed ID: 35411858
[TBL] [Abstract][Full Text] [Related]
16. Solubility curves and nucleation rates from molecular dynamics for polymorph prediction - moving beyond lattice energy minimization.
Parks C; Koswara A; DeVilbiss F; Tung HH; Nere NK; Bordawekar S; Nagy ZK; Ramkrishna D
Phys Chem Chem Phys; 2017 Feb; 19(7):5285-5295. PubMed ID: 28149994
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data.
Reiss CA; Mechelen JBV; Goubitz K; Peschar R
Acta Crystallogr C Struct Chem; 2018 Mar; 74(Pt 3):392-399. PubMed ID: 29504571
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Rietveld Structure Refinement of Cu-Trien Exchanged Nontronites.
Wang X; Liao L
Front Chem; 2018; 6():558. PubMed ID: 30515377
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]