Titre :	Structure and Bonding. Vol.185 : 21st century challenges in chemical crystallography I. History and technical developments
Type de document :	texte imprimé
Auteurs :	D. M. P. Mingos, Éditeur scientifique ; Raithby, Paul, Éditeur scientifique
Editeur :	Berlin, Heidelberg : Springer
Année de publication :	2020
Collection :	Structure and Bonding, ISSN 0081-5993 num. 185
Importance :	ix, 278 p.
ISBN/ISSN/EAN :	978-3-030-64742-1
Note générale :	"Structure and Bonding is a publication which uniquely bridges the journal and book format. Organized into topical volumes, the series publishes in depth and critical reviews on all topics concerning structure and bonding. With over 50 years of history, the series has developed from covering theoretical methods for simple molecules to more complex systems."
Langues :	Anglais (eng)
Résumé :	"This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considered and the potential impact of artificial intelligence techniques stressed. Recent advances in the refinement and analysis of X-ray crystal structures are highlighted. In addition the recent developments in time resolved single crystal X-ray crystallography are discussed. Recent years have demonstrated how this technique has provided important mechanistic information on solid-state reactions and complements information from traditional spectroscopic measurements. The volume highlights how the prospect of being able to routinely “watch” chemical processes as they occur provides an exciting possibility for the future. Recent advances in X-ray sources and detectors that have also contributed to the possibility of dynamic single-crystal X-ray diffraction methods are presented. The coupling of crystallography and quantum chemical calculations provides detailed information about electron distributions in crystals and has resulted in a more detailed understanding of chemical bonding."
Note de contenu :	"* Early history of X-ray crystallography * Recent developments in the refinement and analysis of crystal structures * Leading edge chemical crystallography service provision and its impact on crystallographic data science in the twenty-first century * Crystallography under high pressures * Watching photochemistry happen: Recent developments in dynamic single-crystal X-ray diffraction studies * Time-resolved single-Crystal X-ray crystallography."
Cote :	EXCLU (SdL)
Num_Inv :	3609

Structure and Bonding. Vol.185 : 21st century challenges in chemical crystallography I. History and technical developments [texte imprimé] / D. M. P. Mingos, Éditeur scientifique ; Raithby, Paul, Éditeur scientifique . - Berlin, Heidelberg : Springer, 2020 . - ix, 278 p.. - (Structure and Bonding, ISSN 0081-5993; 185) .
ISBN : 978-3-030-64742-1
"Structure and Bonding is a publication which uniquely bridges the journal and book format. Organized into topical volumes, the series publishes in depth and critical reviews on all topics concerning structure and bonding. With over 50 years of history, the series has developed from covering theoretical methods for simple molecules to more complex systems."
Langues : Anglais (eng)

Résumé :	"This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considered and the potential impact of artificial intelligence techniques stressed. Recent advances in the refinement and analysis of X-ray crystal structures are highlighted. In addition the recent developments in time resolved single crystal X-ray crystallography are discussed. Recent years have demonstrated how this technique has provided important mechanistic information on solid-state reactions and complements information from traditional spectroscopic measurements. The volume highlights how the prospect of being able to routinely “watch” chemical processes as they occur provides an exciting possibility for the future. Recent advances in X-ray sources and detectors that have also contributed to the possibility of dynamic single-crystal X-ray diffraction methods are presented. The coupling of crystallography and quantum chemical calculations provides detailed information about electron distributions in crystals and has resulted in a more detailed understanding of chemical bonding."
Note de contenu :	"* Early history of X-ray crystallography * Recent developments in the refinement and analysis of crystal structures * Leading edge chemical crystallography service provision and its impact on crystallographic data science in the twenty-first century * Crystallography under high pressures * Watching photochemistry happen: Recent developments in dynamic single-crystal X-ray diffraction studies * Time-resolved single-Crystal X-ray crystallography."
Cote :	EXCLU (SdL)
Num_Inv :	3609