|
| Titre : |
Crystal structure refinement : a crystallographers guide to SHELXL |
| Type de document : |
texte imprimé |
| Auteurs : |
P. Muller, Editeur scientifique |
| Editeur : |
Oxford : Oxford university press |
| Année de publication : |
2006 |
| Collection : |
International union of crystallography book series num. 8 |
| Importance : |
213 p. |
| Présentation : |
ill. |
| Format : |
24 cm |
| ISBN/ISSN/EAN : |
978-0-19-857076-9 |
| Note générale : |
Bibliogr. p. 204-210 |
| Langues : |
Anglais (eng) |
| Tags : |
Cristaux Structure Affinage Informatique |
| Index. décimale : |
548 Cristallographie |
| Résumé : |
Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the
assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters
the book gives refinement examples, based on the program SHELXL, describing every problem in detail. |
Crystal structure refinement : a crystallographers guide to SHELXL [texte imprimé] / P. Muller, Editeur scientifique . - Oxford : Oxford university press, 2006 . - 213 p. : ill. ; 24 cm. - ( International union of crystallography book series; 8) . ISBN : 978-0-19-857076-9 Bibliogr. p. 204-210 Langues : Anglais ( eng)
| Tags : |
Cristaux Structure Affinage Informatique |
| Index. décimale : |
548 Cristallographie |
| Résumé : |
Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the
assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters
the book gives refinement examples, based on the program SHELXL, describing every problem in detail. |
|  |
Accueil
Ajouter le résultat dans votre panier Affiner la rechercheCrystal structure refinement
