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The Application of Charge Density Research to Chemistry and Drug Design

Autor: G.A. Jeffrey, J.F. Piniella

In the past twenty years, the X-ray crystallography of organic molecules has expanded rapidly in two opposite directions. One is towards larger and larger biological macromolecules and the other is towards the fine details of the electronic structure

Exploring phases of a physiologically-active nitronyl nitroxide free radical

Autor: J.M. Cuevas, L. Vila, J.F. Piniella, A. Alvarez-Larena, A.M. Molins-Pujol

Publikováno v: Acta Crystallographica Section A Foundations of Crystallography. 67:C568-C568

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3388adaeaed35f6ee025b86175bb53d8
https://doi.org/10.1107/s0108767311085631

The structure of aquotetra-acetanilide of EDTA cobalt(II) perchlorate

Autor: J. L. Brianso, Angela F. Danil de Namor, A. Alvarez-Larena, J.F. Piniella, J. Cárdenas

Publikováno v: Acta Crystallographica Section A Foundations of Crystallography. 49:c231-c232

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::148bc6398ed7f8016e42132ab55224aa
https://doi.org/10.1107/s010876737809354x

10β-Hydroxy-1,4-estradiene-3,17-dione

Autor: J. H. Bieri, J.L. Briansó, J.F. Piniella, R. Prewo

Publikováno v: Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
Recercat. Dipósit de la Recerca de Catalunya
instname
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)

C18H22=3 Mr=286.4, orthorhombic, P212121, a=7.014(2), b=12.176(4), c=17.648(4)A, V=1507.2 A3, Z=4, Dx=1.26 Mg m-3m (Mo Ka)=0.71069 A, µ=0.079 mm-1m F(000)=616, T ca 130 K, R=0.109 for all 2506 unique reflections within -1sinO=0.70 A-1; the absolute

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::198ccaaee56ca302962795f77c083d6d
https://ddd.uab.cat/record/27757