156 related articles for article (PubMed ID: 21586833)
1. Charge-density analysis of 1-nitroindoline: refinement quality using free R factors and restraints.
Zarychta B; Zaleski J; Kyzioł J; Daszkiewicz Z; Jelsch C
Acta Crystallogr B; 2011 Jun; 67(Pt 3):250-62. PubMed ID: 21586833
[TBL] [Abstract][Full Text] [Related]
2. Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX.
Zhurov VV; Zhurova EA; Stash AI; Pinkerton AA
Acta Crystallogr A; 2011 Mar; 67(Pt 2):160-73. PubMed ID: 21325719
[TBL] [Abstract][Full Text] [Related]
3. Towards the best model for H atoms in experimental charge-density refinement.
Hoser AA; Dominiak PM; Woźniak K
Acta Crystallogr A; 2009 Jul; 65(Pt 4):300-11. PubMed ID: 19535851
[TBL] [Abstract][Full Text] [Related]
4. A critical analysis of dipole-moment calculations as obtained from experimental and theoretical structure factors.
Poulain-Paul A; Nassour A; Jelsch C; Guillot B; Kubicki M; Lecomte C
Acta Crystallogr A; 2012 Nov; 68(Pt 6):715-28. PubMed ID: 23075614
[TBL] [Abstract][Full Text] [Related]
5. Modeling of the nuclear parameters for H atoms in X-ray charge-density studies.
Madsen AØ; Sørensen HO; Flensburg C; Stewart RF; Larsen S
Acta Crystallogr A; 2004 Nov; 60(Pt 6):550-61. PubMed ID: 15507737
[TBL] [Abstract][Full Text] [Related]
6. Experimental charge-density study of paracetamol--multipole refinement in the presence of a disordered methyl group.
Bak JM; Dominiak PM; Wilson CC; Woźniak K
Acta Crystallogr A; 2009 Nov; 65(Pt 6):490-500. PubMed ID: 19844032
[TBL] [Abstract][Full Text] [Related]
7. Experimental and theoretical charge density distribution in a host-guest system: synthetic terephthaloyl receptor complexed to adipic acid.
Nguyen TH; Howard ST; Hanrahan JR; Groundwater PW; Platts JA; Hibbs DE
J Phys Chem A; 2012 Jun; 116(23):5618-28. PubMed ID: 22548484
[TBL] [Abstract][Full Text] [Related]
8. R-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with Z' = 2.
Paul A; Kubicki M; Jelsch C; Durand P; Lecomte C
Acta Crystallogr B; 2011 Aug; 67(Pt 4):365-78. PubMed ID: 21775815
[TBL] [Abstract][Full Text] [Related]
9. On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures.
Zarychta B; Pichon-Pesme V; Guillot B; Lecomte C; Jelsch C
Acta Crystallogr A; 2007 Mar; 63(Pt 2):108-25. PubMed ID: 17301471
[TBL] [Abstract][Full Text] [Related]
10. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4.
Lo Presti L; Destro R
J Chem Phys; 2008 Jan; 128(4):044710. PubMed ID: 18247984
[TBL] [Abstract][Full Text] [Related]
11. Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case.
Guillot B; Jelsch C; Podjarny A; Lecomte C
Acta Crystallogr D Biol Crystallogr; 2008 May; 64(Pt 5):567-88. PubMed ID: 18453693
[TBL] [Abstract][Full Text] [Related]
12. Determination of experimental charge density in model nickel macrocycle: [3,11-bis(methoxycarbonyl)-1,5,9,13-tetraazacyclohexadeca-1,3,9,11-tetraenato-(2-)-kappa(4)N]nickel(II).
Domagała S; Korybut-Daszkiewicz B; Straver L; Woźniak K
Inorg Chem; 2009 May; 48(9):4010-20. PubMed ID: 19354267
[TBL] [Abstract][Full Text] [Related]
13. Accurate charge density of trialanine: a comparison of the multipole formalism and the maximum entropy method (MEM).
Hofmann A; Netzel J; van Smaalen S
Acta Crystallogr B; 2007 Apr; 63(Pt 2):285-95. PubMed ID: 17374939
[TBL] [Abstract][Full Text] [Related]
14. Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
Mebs S; Grabowsky S; Förster D; Kickbusch R; Hartl M; Daemen LL; Morgenroth W; Luger P; Paulus B; Lentz D
J Phys Chem A; 2010 Sep; 114(37):10185-96. PubMed ID: 20726618
[TBL] [Abstract][Full Text] [Related]
15. The charge density of urea from synchrotron diffraction data.
Birkedal H; Madsen D; Mathiesen RH; Knudsen K; Weber HP; Pattison P; Schwarzenbach D
Acta Crystallogr A; 2004 Sep; 60(Pt 5):371-81. PubMed ID: 15477674
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Cross-validation tests of time-averaged molecular dynamics refinements for determination of protein structures by X-ray crystallography.
Clarage JB; Phillips GN
Acta Crystallogr D Biol Crystallogr; 1994 Jan; 50(Pt 1):24-36. PubMed ID: 15299473
[TBL] [Abstract][Full Text] [Related]
18. An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4.
Marabello D; Bianchi R; Gervasio G; Cargnoni F
Acta Crystallogr A; 2004 Sep; 60(Pt 5):494-501. PubMed ID: 15477690
[TBL] [Abstract][Full Text] [Related]
19. Charge density analysis of 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile: an experimental and theoretical study of C≡N···C≡N interactions.
Paul A; Kubicki M; Kubas A; Jelsch C; Fink K; Lecomte C
J Phys Chem A; 2011 Nov; 115(45):12941-52. PubMed ID: 21875142
[TBL] [Abstract][Full Text] [Related]
20. Energetics of interactions in the solid state of 2-hydroxy-8-
Woinska M; Wanat M; Taciak P; Pawinski T; Minor W; Wozniak K
IUCrJ; 2019 Sep; 6(Pt 5):868-883. PubMed ID: 31576220
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]