Raithby paul (59 resultados)
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The Future of Dynamic Structural Science
Howard, Judith A.K.|Sparkes, Hazel A.|Raithby, Paul R.|Churakov, Andrei V.
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The Future of Dynamic Structural Science
Howard, Judith A.K.|Sparkes, Hazel A.|Raithby, Paul R.|Churakov, Andrei V.
Idioma: Inglés
Editorial: Springer Netherlands, 2014
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Taschenbuch. Condición: Neu. The Future of Dynamic Structural Science | Judith A. K. Howard (u. a.) | Taschenbuch | xvi | Englisch | 2014 | Springer | EAN 9789401785525 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - This work focuses on complementary crystallographic and spectroscopic areas of dynamic structural science, from papers presented at the 46th NATO sponsored course in Erice, Sicily 2013. These papers cover a range of material from background concept…s to more advanced material and represent a fully inter-disciplinary collection of the latest ideas and results within the field. They will appeal to practising or novice crystallographers, both chemical and biological, who wish to learn more about modern spectroscopic methods and convergent advances and hence vice versa for experimental and computational spectroscopists. The chapters refer to the latest techniques, software and results and each chapter is fully referenced. The volume provides an excellent starting point for new comers in the emerging, multi-disciplinary area of time resolved science.
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Buch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - This work focuses on complementary crystallographic and spectroscopic areas of dynamic structural science, from papers presented at the 46th NATO sponsored course in Erice, Sicily 2013. These papers cover a range of material from background concepts to mo…re advanced material and represent a fully inter-disciplinary collection of the latest ideas and results within the field. They will appeal to practising or novice crystallographers, both chemical and biological, who wish to learn more about modern spectroscopic methods and convergent advances and hence vice versa for experimental and computational spectroscopists. The chapters refer to the latest techniques, software and results and each chapter is fully referenced. The volume provides an excellent starting point for new comers in the emerging, multi-disciplinary area of time resolved science.
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Condición: Sehr gut. Zustand: Sehr gut | Seiten: 1846 | Sprache: Englisch | Produktart: Bücher | Keine Beschreibung verfügbar.
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Condición: Sehr gut. Auflage: 1. Auflage. 1846 Seiten Leichte Druckstelle quer auf der Covervorderseite von Volume 1, kleine Lagerspuren an den Büchern, Inhalt einwandfrei und ungelesen Sprache: Englisch Gewicht in Gramm: 4020 24,4 x 17,8 x 3,4 cm, Gebundene Ausgabe.
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Taschenbuch. Condición: Neu. 21st Century Challenges in Chemical Crystallography I | History and Technical Developments | D. Michael P. Mingos (u. a.) | Taschenbuch | ix | Englisch | 2022 | Springer | EAN 9783030647452 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]har…tmann[at]springer[dot]com | Anbieter: preigu.
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Taschenbuch. Condición: Neu. 21st Century Challenges in Chemical Crystallography II | Structural Correlations and Data Interpretation | D. Michael P. Mingos (u. a.) | Taschenbuch | ix | Englisch | 2022 | Springer | EAN 9783030647490 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, j…uergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - This volume summarises recent developments and highlights new techniques which will define possible future directions for small molecule X-ray crystallography. It provides an insight into how specific aspects of crystallography are developing and s…hows how they may interact or integrate with other areas of science.The development of more sophisticated equipment and the massive rise in computing power has made it possible to solve the three-dimensional structure of an organic molecule within hours if not minutes. This successful trajectory has resulted in the ability to study ever more complex molecules and use smaller and smaller crystals. The structural parameters for over a million organic and organometallic compounds are now archived in the most commonly used database and this wealth of information creates a new set of problems for future generations of scientists. The volume provides some insight into how users of crystallographic structural data banks can navigatetheir way through a world where 'big data' has become the norm. The coupling of crystallography to quantum chemical calculations provides detailed information about electron distributions in crystals affording a much more detailed analysis of bonding than has been possible previously. In quantum crystallography, quantum mechanical wavefunctions are used to extract information about bonding and properties from the measured X-ray structure factors. The advent of quantum crystallography has resulted in form and structure factors derived from quantum mechanics which have been used in advanced refinement and wavefunction fitting. This volume describes how quantum mechanically derived atomic form factors and structure factors are constructed to allow the improved description of the diffraction experiment. It further discusses recent developments in this field and illustrates their applications with a wide range of examples.This volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. It will also be relevant for the community of computational chemists who study chemical systems. Postgraduate students entering the field will benefit from a historical introduction to the way in which scientists have used the data derived from crystallography to develop new structural and bonding models.
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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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 interdiscipli…nary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic andsynchrotronfacilities 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 structuresare highlighted.In addition the recent developments in time resolved single crystal X-ray crystallography arediscussed. 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.The volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. Postgraduate students entering the field will benefit from a historical introduction to the subject and a description of those techniques which are currently used. Since X-ray crystallography is used so widely in modern chemistry it will serve to alert senior chemists to those developments which will become routine in coming decades. It will also be of interest to the broad community of computational chemists who study chemical systems.
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Buch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - This volume summarises recent developments and highlights new techniques which will define possible future directions for small molecule X-ray crystallography. It provides an insight into how specific aspects of crystallography are developing and shows ho…w they may interact or integrate with other areas of science.The development of more sophisticated equipment and the massive rise in computing power has made it possible to solve the three-dimensional structure of an organic molecule within hours if not minutes. This successful trajectory has resulted in the ability to study ever more complex molecules and use smaller and smaller crystals. The structural parameters for over a million organic and organometallic compounds are now archived in the most commonly used database and this wealth of information creates a new set of problems for future generations of scientists. The volume provides some insight into how users of crystallographic structural data banks can navigatetheir way through a world where 'big data' has become the norm. The coupling of crystallography to quantum chemical calculations provides detailed information about electron distributions in crystals affording a much more detailed analysis of bonding than has been possible previously. In quantum crystallography, quantum mechanical wavefunctions are used to extract information about bonding and properties from the measured X-ray structure factors. The advent of quantum crystallography has resulted in form and structure factors derived from quantum mechanics which have been used in advanced refinement and wavefunction fitting. This volume describes how quantum mechanically derived atomic form factors and structure factors are constructed to allow the improved description of the diffraction experiment. It further discusses recent developments in this field and illustrates their applications with a wide range of examples.This volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. It will also be relevant for the community of computational chemists who study chemical systems. Postgraduate students entering the field will benefit from a historical introduction to the way in which scientists have used the data derived from crystallography to develop new structural and bonding models.
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Buch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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 na…ture of the technique is emphasised throughout. It introduces and describes the chemical crystallographic andsynchrotronfacilities 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 structuresare highlighted.In addition the recent developments in time resolved single crystal X-ray crystallography arediscussed. 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.The volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. Postgraduate students entering the field will benefit from a historical introduction to the subject and a description of those techniques which are currently used. Since X-ray crystallography is used so widely in modern chemistry it will serve to alert senior chemists to those developments which will become routine in coming decades. It will also be of interest to the broad community of computational chemists who study chemical systems.
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Taschenbuch. Condición: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This work focuses on complementary crystallographic and spectroscopic areas of dynamic structural science, from papers presented at the 46th NATO sponsored course in Erice, Sicily 2013. These papers cover a range of material from ba…ckground concepts to more advanced material and represent a fully inter-disciplinary collection of the latest ideas and results within the field. They will appeal to practising or novice crystallographers, both chemical and biological, who wish to learn more about modern spectroscopic methods and convergent advances and hence vice versa for experimental and computational spectroscopists. The chapters refer to the latest techniques, software and results and each chapter is fully referenced. The volume provides an excellent starting point for new comers in the emerging, multi-disciplinary area of time resolved science. 300 pp. Englisch.
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Serie: Libro 16 de 28 - NATO Science for Peace and Security Series A: Chemistry and Biology
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