360 related articles for article (PubMed ID: 37335768)
1. Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.
Bravetti F; Tapmeyer L; Skorodumov K; Alig E; Habermehl S; Hühn R; Bordignon S; Gallo A; Nervi C; Chierotti MR; Schmidt MU
IUCrJ; 2023 Jul; 10(Pt 4):448-463. PubMed ID: 37335768
[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. Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and (13)C solid-state NMR.
Li X; Bond AD; Johansson KE; Van de Streek J
Acta Crystallogr C Struct Chem; 2014 Aug; 70(Pt 8):784-9. PubMed ID: 25093360
[TBL] [Abstract][Full Text] [Related]
4. Solid-State Structural Properties of Alloxazine Determined from Powder XRD Data in Conjunction with DFT-D Calculations and Solid-State NMR Spectroscopy: Unraveling the Tautomeric Identity and Pathways for Tautomeric Interconversion.
Smalley CJH; Logsdail AJ; Hughes CE; Iuga D; Young MT; Harris KDM
Cryst Growth Des; 2022 Jan; 22(1):524-534. PubMed ID: 35024003
[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. 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]
7. Rare-earth tricyanomelaminates [NH(4)]Ln[HC(6)N(9)](2)[H(2)O](7)H(2)O (Ln=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy): structural investigation, solid-state NMR spectroscopy, and photoluminescence.
Nag A; Lotsch BV; Schmedt Auf der Günne J; Oeckler O; Schmidt PJ; Schnick W
Chemistry; 2007; 13(12):3512-24. PubMed ID: 17304594
[TBL] [Abstract][Full Text] [Related]
8. Solid-state behavior of cromolyn sodium hydrates.
Chen LR; Young VG; Lechuga-Ballesteros D; Grant DJ
J Pharm Sci; 1999 Nov; 88(11):1191-200. PubMed ID: 10564069
[TBL] [Abstract][Full Text] [Related]
9. Does Z' equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease.
Widdifield CM; Nilsson Lill SO; Broo A; Lindkvist M; Pettersen A; Svensk Ankarberg A; Aldred P; Schantz S; Emsley L
Phys Chem Chem Phys; 2017 Jun; 19(25):16650-16661. PubMed ID: 28621371
[TBL] [Abstract][Full Text] [Related]
10. Physicochemical properties calculated using DFT method and changes of 5-methyluridine hemihydrate crystals at high temperatures.
Carvalho JO; Oliveira Neto JG; Silva Filho JG; de Sousa FF; Freire PTC; Santos AO; Façanha Filho PF
Spectrochim Acta A Mol Biomol Spectrosc; 2022 Nov; 281():121594. PubMed ID: 35841856
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. 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]
13. Solid-state characterization of two polymorphs of aspartame hemihydrate.
Leung SS; Padden BE; Munson EJ; Grant DJ
J Pharm Sci; 1998 Apr; 87(4):501-7. PubMed ID: 9548905
[TBL] [Abstract][Full Text] [Related]
14. Zwitterionic or Not? Fast and Reliable Structure Determination by Combining Crystal Structure Prediction and Solid-State NMR.
Bravetti F; Russo RE; Bordignon S; Gallo A; Rossi F; Nervi C; Gobetto R; Chierotti MR
Molecules; 2023 Feb; 28(4):. PubMed ID: 36838863
[TBL] [Abstract][Full Text] [Related]
15. Understanding the dehydration of levofloxacin hemihydrate.
Gorman EM; Samas B; Munson EJ
J Pharm Sci; 2012 Sep; 101(9):3319-30. PubMed ID: 22610517
[TBL] [Abstract][Full Text] [Related]
16. Enantiotropically-related polymorphs of {4-(4-chloro-3-fluorophenyl)-2-[4-(methyloxy)phenyl]-1,3-thiazol-5-yl} acetic acid: crystal structures and multinuclear solid-state NMR.
Vogt FG; Katrincic LM; Long ST; Mueller RL; Carlton RA; Sun YT; Johnson MN; Copley RC; Light ME
J Pharm Sci; 2008 Nov; 97(11):4756-82. PubMed ID: 18300300
[TBL] [Abstract][Full Text] [Related]
17. Refinement of labile hydrogen positions based on DFT calculations of
Siskos MG; Choudhary MI; Gerothanassis IP
Org Biomol Chem; 2017 May; 15(21):4655-4666. PubMed ID: 28513720
[TBL] [Abstract][Full Text] [Related]
18. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).
van de Streek J; Neumann MA
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2014 Dec; 70(Pt 6):1020-32. PubMed ID: 25449625
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D.
van de Streek J
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2015 Feb; 71(Pt 1):89-94. PubMed ID: 25643720
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]