"Acta Crystallogr B"[journal] - PMC

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Items: 15

Select item 32221421.

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

David A. Bardwell, Claire S. Adjiman, Yelena A. Arnautova, Ekaterina Bartashevich, Stephan X. M. Boerrigter, Doris E. Braun, Aurora J. Cruz-Cabeza, Graeme M. Day, Raffaele G. Della Valle, Gautam R. Desiraju, Bouke P. van Eijck, Julio C. Facelli, Marta B. Ferraro, Damian Grillo, Matthew Habgood, Detlef W. M. Hofmann, Fridolin Hofmann, K. V. Jovan Jose, Panagiotis G. Karamertzanis, Andrei V. Kazantsev, John Kendrick, Liudmila N. Kuleshova, Frank J. J. Leusen, Andrey V. Maleev, Alston J. Misquitta, Sharmarke Mohamed, Richard J. Needs, Marcus A. Neumann, Denis Nikylov, Anita M. Orendt, Rumpa Pal, Constantinos C. Pantelides, Chris J. Pickard, Louise S. Price, Sarah L. Price, Harold A. Scheraga, Jacco van de Streek, Tejender S. Thakur, Siddharth Tiwari, Elisabetta Venuti, Ilia K. Zhitkov

Acta Crystallogr B. 2011 Dec 1; 67(Pt 6): 535–551. Published online 2011 Nov 17. doi: 10.1107/S0108768111042868

PMCID:: PMC3222142

Article PDF–835K

Select item 29920342.

Diffuse scattering study of aspirin forms (I) and (II)

E. J. Chan, T. R. Welberry, A. P. Heerdegen, D. J. Goossens

Acta Crystallogr B. 2010 Dec 1; 66(Pt 6): 696–707. Published online 2010 Nov 10. doi: 10.1107/S0108768110037055

PMCID:: PMC2992034

Article PDF–2.1M

Select item 29402563.

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

Jacco van de Streek, Marcus A. Neumann

Acta Crystallogr B. 2010 Oct 1; 66(Pt 5): 544–558. Published online 2010 Sep 11. doi: 10.1107/S0108768110031873

PMCID:: PMC2940256

Article PDF–1.1M

Select item 28738634.

Towards a generalized vision of oxides: disclosing the role of cations and anions in determining unit-cell dimensions

Ángel Vegas, Maurizio Mattesini

Acta Crystallogr B. 2010 Jun 1; 66(Pt 3): 338–344. Published online 2010 May 6. doi: 10.1107/S0108768110013200

PMCID:: PMC2873863

Article PDF–957K

Select item 26289735.

Compounds with a ‘stuffed’ anti-bixbyite-type structure, analysed in terms of the Zintl–Klemm and coordination-defect concepts

Angel Vegas, Raymond L. Martin, D. J. M. Bevan

Acta Crystallogr B. 2009 Feb 1; 65(Pt 1): 11–21. Published online 2008 Dec 20. doi: 10.1107/S010876810803423X

PMCID:: PMC2628973

Article PDF–1.6M

Select item 31201006.

Electrostatic and aspheric influence of the fluoro-substitution of 4-bromodiphenyl ether (PBDE 3)

J. Klösener, D. C. Swenson, L. W. Robertson, G. Luthe

Acta Crystallogr B. Author manuscript; available in PMC 2011 Jun 22.

Published in final edited form as: Acta Crystallogr B. 2008 Feb; 64(Pt 1): 108–119. Published online 2008 Jan 17. doi: 10.1107/S0108768107067079

PMCID:: PMC3120100

Article PDF–2.8M

Select item 32221407.

Stacking faults and superstructures in a layered brownmillerite

H. Krüger, S. Stöber, T. R. Welberry, R. L. Withers, J. D. Fitz Gerald

Acta Crystallogr B. 2011 Dec 1; 67(Pt 6): 476–485. Published online 2011 Nov 17. doi: 10.1107/S0108768111042005

PMCID:: PMC3222140

Article PDF–1.1M

Select item 32221418.

Determining the structure of a benzene7.2-silicalite-1 zeolite using a single-crystal X-ray method

Natsumi Kamiya, Wataru Iwama, Tomokazu Kudo, Tomomi Nasuno, Shinjiro Fujiyama, Koji Nishi, Yoshinobu Yokomori

Acta Crystallogr B. 2011 Dec 1; 67(Pt 6): 508–515. Published online 2011 Oct 13. doi: 10.1107/S0108768111038560

PMCID:: PMC3222141

Article PDF–812K

Select item 31430259.

Deducing chemical structure from crystallographically determined atomic coordinates

Ian J. Bruno, Gregory P. Shields, Robin Taylor

Acta Crystallogr B. 2011 Aug 1; 67(Pt 4): 333–349. Published online 2011 Jul 18. doi: 10.1107/S0108768111024608

PMCID:: PMC3143025

Article PDF–1.1M

Select item 309855610.

Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb₂ZnCl₄

Liang Li, Alexander Wölfel, Andreas Schönleber, Swastik Mondal, Antoine M. M. Schreurs, Loes M. J. Kroon-Batenburg, Sander van Smaalen

Acta Crystallogr B. 2011 Jun 1; 67(Pt 3): 205–217. Published online 2011 May 14. doi: 10.1107/S0108768111013814

PMCID:: PMC3098556

Article PDF–1.0M

Select item 281140211.

A complicated quasicrystal approximant ∊₁₆ predicted by the strong-reflections approach

Mingrun Li, Junliang Sun, Peter Oleynikov, Sven Hovmöller, Xiaodong Zou, Benjamin Grushko

Acta Crystallogr B. 2010 Feb 1; 66(Pt 1): 17–26. Published online 2010 Jan 22. doi: 10.1107/S0108768109053804

PMCID:: PMC2811402

Article PDF–1.7M

Select item 274964512.

Topological properties of hydrogen bonds and covalent bonds from charge densities obtained by the maximum entropy method (MEM)

Jeanette Netzel, Sander van Smaalen

Acta Crystallogr B. 2009 Oct 1; 65(Pt 5): 624–638. Published online 2009 Aug 28. doi: 10.1107/S0108768109026767

PMCID:: PMC2749645

Article PDF–1.0M

Select item 255355513.

Orientational disorder and phase transitions in crystals of (NH₄)₂NbOF₅

Anatoly A. Udovenko, Natalia M. Laptash

Acta Crystallogr B. 2008 Oct 1; 64(Pt 5): 527–533. Published online 2008 Sep 6. doi: 10.1107/S0108768108021289

PMCID:: PMC2553555

Article PDF–782K

Select item 239100614.

Genetic and Genomic Public Health Strategies: Imperatives for Neonatal Nursing Genetic Competency

Pamela S Holtzclaw Williams

Acta Crystallogr B. Author manuscript; available in PMC 2009 Mar 1.

Published in final edited form as: Acta Crystallogr B. 2002 Oct; 58(Pt 5): 743–749. Published online 2002 Sep 24. doi: 10.1107/s0108768102013782

PMCID:: PMC2391006

Article PDF–307K

Select item 416771915.

A Description of the Techniques and Application of Molecular Replacement Used to Determine the Structure of Polyoma Virus Capsid at 22.5 Å Resolution

Ivan Rayment, Timothy S. Baker, Donald L. D. Caspar

Acta Crystallogr B. Author manuscript; available in PMC 2014 Sep 18.

Published in final edited form as: Acta Crystallogr B. 1983 Aug; 39(4): 505–516. doi: 10.1107/S0108768183002785

PMCID:: PMC4167719

Article PDF–6.2M

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