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Structure and Bonding. Vol.186 : 21st century challenges in chemical crystallography II. Structural correlations and data interpretation / D. M. P. Mingos
Titre : Structure and Bonding. Vol.186 : 21st century challenges in chemical crystallography II. Structural correlations and data interpretation 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 : vii, 231 p. ISBN/ISSN/EAN : 978-3-030-64747-6 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 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 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 navigate their 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."Note de contenu : "* Historical development of structural correlations
* The advent of quantum crystallography: Form and structure factors from quantum mechanics for advanced structure refinement and wavefunction fitting
* Experimental charge densities from multipole modeling: Moving into the twenty-first century
* Computational studies of the solid-state molecular organometallic (SMOM) chemistry of Rh s-alkane complexes."Cote : EXCLU (SdL) Num_Inv : 3617 Structure and Bonding. Vol.186 : 21st century challenges in chemical crystallography II. Structural correlations and data interpretation [texte imprimé] / D. M. P. Mingos, Éditeur scientifique ; Raithby, Paul, Éditeur scientifique . - Berlin, Heidelberg : Springer, 2020 . - vii, 231 p.. - (Structure and Bonding, ISSN 0081-5993; 185) .
ISBN : 978-3-030-64747-6
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 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 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 navigate their 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."Note de contenu : "* Historical development of structural correlations
* The advent of quantum crystallography: Form and structure factors from quantum mechanics for advanced structure refinement and wavefunction fitting
* Experimental charge densities from multipole modeling: Moving into the twenty-first century
* Computational studies of the solid-state molecular organometallic (SMOM) chemistry of Rh s-alkane complexes."Cote : EXCLU (SdL) Num_Inv : 3617 Exemplaires(1)
Code-barres Cote Support Localisation Section Disponibilité 3617 EXCLU Texte imprimé Salle de lecture Série Consultation sur place
Exclu du prêtStructure and Bonding. Vol.187 : 50th Anniversary of electron counting paradigms for polyhedral molecules. Historical and recent developments / D. M. P. Mingos
Titre : Structure and Bonding. Vol.187 : 50th Anniversary of electron counting paradigms for polyhedral molecules. Historical and recent developments Type de document : texte imprimé Auteurs : D. M. P. Mingos, Editeur commercial Editeur : Berlin, Heidelberg : Springer Année de publication : 2021 Collection : Structure and Bonding, ISSN 0081-5993 num. 187 Importance : ix, 247 p. ISBN/ISSN/EAN : 978-3-030-84862-0 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 : "The 50 Year Anniversary of the development of electron counting paradigms for polyhedral molecules is celebrated in two volumes of Structure and Bonding. Volume 1 covers the historical development, theoretical models and applications to boranes and metalloboranes." Note de contenu : "* Personal historical perspective on the development of electron counting rules for boranes and clusters and Ken Wade’s contribution
* Introduction to tensor surface harmonic theory
* Borane polyhedra beyond icosahedron
* Beyond the Wade-Mingos Rules: Deviations from sphericality in metallaborane structures
* Bis(carboranes) and their derivatives
* Borane and carbaborane clusters meet coordination polymers and networks: In the hole or in the backbone?."Cote : EXCLU (SdL) Num_Inv : 3661 Structure and Bonding. Vol.187 : 50th Anniversary of electron counting paradigms for polyhedral molecules. Historical and recent developments [texte imprimé] / D. M. P. Mingos, Editeur commercial . - Berlin, Heidelberg : Springer, 2021 . - ix, 247 p.. - (Structure and Bonding, ISSN 0081-5993; 187) .
ISBN : 978-3-030-84862-0
"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 : "The 50 Year Anniversary of the development of electron counting paradigms for polyhedral molecules is celebrated in two volumes of Structure and Bonding. Volume 1 covers the historical development, theoretical models and applications to boranes and metalloboranes." Note de contenu : "* Personal historical perspective on the development of electron counting rules for boranes and clusters and Ken Wade’s contribution
* Introduction to tensor surface harmonic theory
* Borane polyhedra beyond icosahedron
* Beyond the Wade-Mingos Rules: Deviations from sphericality in metallaborane structures
* Bis(carboranes) and their derivatives
* Borane and carbaborane clusters meet coordination polymers and networks: In the hole or in the backbone?."Cote : EXCLU (SdL) Num_Inv : 3661 Exemplaires(1)
Code-barres Cote Support Localisation Section Disponibilité 3661 EXCLU Texte imprimé Salle de lecture Série Consultation sur place
Exclu du prêtStructure and Bonding. Vol.188 : 50th Anniversary of electron counting paradigms for polyhedral molecules. Bonding in clusters, intermetallics and intermetalloids / D. M. P. Mingos
Titre : Structure and Bonding. Vol.188 : 50th Anniversary of electron counting paradigms for polyhedral molecules. Bonding in clusters, intermetallics and intermetalloids Type de document : texte imprimé Auteurs : D. M. P. Mingos, Editeur commercial Editeur : Berlin, Heidelberg : Springer Année de publication : 2021 Collection : Structure and Bonding, ISSN 0081-5993 num. 187 Importance : ix, 257 p. ISBN/ISSN/EAN : 978-3-030-84870-5 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 : "The 50 Year Anniversary of the development of electron counting paradigms for polyhedral molecules is celebrated in two volumes of Structure and Bonding. VVolume 2 covers applications to metal and metalloid clusters of the transition and post-transition elements." Note de contenu : "* Electron counting rules for gold clusters which are stereochemically non-rigid and exhibit skeletal isomerism
* Electron counting in ligated high nuclearity late transition metal clusters
* Binary zintl anions involving group 13–15 (semi-)metal atoms, and the relationship of their structures to electron count
* Molecules meet solids: From Wade–Mingos clusters to intermetalloid clusters
* Structure and bonding of group 14 clusters: Wade’s rules and beyond."Cote : EXCLU (SdL) Num_Inv : 3662 Structure and Bonding. Vol.188 : 50th Anniversary of electron counting paradigms for polyhedral molecules. Bonding in clusters, intermetallics and intermetalloids [texte imprimé] / D. M. P. Mingos, Editeur commercial . - Berlin, Heidelberg : Springer, 2021 . - ix, 257 p.. - (Structure and Bonding, ISSN 0081-5993; 187) .
ISBN : 978-3-030-84870-5
"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 : "The 50 Year Anniversary of the development of electron counting paradigms for polyhedral molecules is celebrated in two volumes of Structure and Bonding. VVolume 2 covers applications to metal and metalloid clusters of the transition and post-transition elements." Note de contenu : "* Electron counting rules for gold clusters which are stereochemically non-rigid and exhibit skeletal isomerism
* Electron counting in ligated high nuclearity late transition metal clusters
* Binary zintl anions involving group 13–15 (semi-)metal atoms, and the relationship of their structures to electron count
* Molecules meet solids: From Wade–Mingos clusters to intermetalloid clusters
* Structure and bonding of group 14 clusters: Wade’s rules and beyond."Cote : EXCLU (SdL) Num_Inv : 3662 Exemplaires(1)
Code-barres Cote Support Localisation Section Disponibilité 3662 EXCLU Texte imprimé Salle de lecture Série Consultation sur place
Exclu du prêt
Titre de série : Structure and Bonding Titre : Vol.19 : Chemical bonding in solids Type de document : texte imprimé Auteurs : C.K. Jorgensen, Éditeur scientifique ; J. B. Neilands, Éditeur scientifique ; D. Reinen, Éditeur scientifique ; R. J. P. Williams, Éditeur scientifique ; P. Hemmerich, Éditeur scientifique ; J. D. Dunitz, Éditeur scientifique ; J. A. Ibers, Éditeur scientifique ; R. H. Holm, Éditeur scientifique Editeur : Berlin, Heidelberg : Springer Année de publication : 1974 Collection : Structure and Bonding, ISSN 0081-5993 num. 19 Importance : iv, 170 p. Format : 24 cm ISBN/ISSN/EAN : 978-3-540-06908-9 Langues : Anglais (eng) Note de contenu : "* Relationships between covalency, interatomic distances, and magnetic properties in halides and chalcogenides
* Considerations on the valence concept
* Geometrical considerations on the marcasite type structure
* The electronic spectra of the hexafluoro complexes of the second and third transition series."Cote : EXCLU (SdL) Num_Inv : 2143 En ligne : http://dx.doi.org/10.1007/BFb0116566 Structure and Bonding. Vol.19 : Chemical bonding in solids [texte imprimé] / C.K. Jorgensen, Éditeur scientifique ; J. B. Neilands, Éditeur scientifique ; D. Reinen, Éditeur scientifique ; R. J. P. Williams, Éditeur scientifique ; P. Hemmerich, Éditeur scientifique ; J. D. Dunitz, Éditeur scientifique ; J. A. Ibers, Éditeur scientifique ; R. H. Holm, Éditeur scientifique . - Berlin, Heidelberg : Springer, 1974 . - iv, 170 p. ; 24 cm. - (Structure and Bonding, ISSN 0081-5993; 19) .
ISBN : 978-3-540-06908-9
Langues : Anglais (eng)
Note de contenu : "* Relationships between covalency, interatomic distances, and magnetic properties in halides and chalcogenides
* Considerations on the valence concept
* Geometrical considerations on the marcasite type structure
* The electronic spectra of the hexafluoro complexes of the second and third transition series."Cote : EXCLU (SdL) Num_Inv : 2143 En ligne : http://dx.doi.org/10.1007/BFb0116566 Exemplaires(1)
Code-barres Cote Support Localisation Section Disponibilité 2143 EXCLU Texte imprimé Salle de lecture Série Consultation sur place
Exclu du prêt
Titre de série : Structure and Bonding Titre : Vol.2 Type de document : texte imprimé Auteurs : C.K. Jorgensen, Éditeur scientifique ; J. B. Neilands, Éditeur scientifique ; R. S. Nyholm, Éditeur scientifique ; D. Reinen, Éditeur scientifique ; R. J. P. Williams, Éditeur scientifique Editeur : Berlin, Heidelberg : Springer Année de publication : 1967 Collection : Structure and Bonding, ISSN 0081-5993 num. 2 Importance : vii, 252 p. Format : 24 cm ISBN/ISSN/EAN : 978-3-540-03989-1 Langues : Anglais (eng) Note de contenu : "* The physics of hemoglobin
* Chlorophyll triplet states
* Chemistry and structure of some borate polyol compounds of biochemical interest
* Reversible oxygenierung von metallkomplexen."Cote : EXCLU (SdL) Num_Inv : 2126 En ligne : http://dx.doi.org/10.1007/BFb0118871 Structure and Bonding. Vol.2 [texte imprimé] / C.K. Jorgensen, Éditeur scientifique ; J. B. Neilands, Éditeur scientifique ; R. S. Nyholm, Éditeur scientifique ; D. Reinen, Éditeur scientifique ; R. J. P. Williams, Éditeur scientifique . - Berlin, Heidelberg : Springer, 1967 . - vii, 252 p. ; 24 cm. - (Structure and Bonding, ISSN 0081-5993; 2) .
ISBN : 978-3-540-03989-1
Langues : Anglais (eng)
Note de contenu : "* The physics of hemoglobin
* Chlorophyll triplet states
* Chemistry and structure of some borate polyol compounds of biochemical interest
* Reversible oxygenierung von metallkomplexen."Cote : EXCLU (SdL) Num_Inv : 2126 En ligne : http://dx.doi.org/10.1007/BFb0118871 Exemplaires(1)
Code-barres Cote Support Localisation Section Disponibilité 2126 EXCLU Texte imprimé Salle de lecture Série Consultation sur place
Exclu du prêtPermalinkPermalinkPermalinkPermalinkPermalinkPermalinkPermalinkPermalinkStructure and Bonding. Vol.28 : Electrons in oxygen- and sulphur-containing ligands / C.K. Jorgensen
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PermalinkPermalinkPermalinkPermalinkPermalinkPermalinkPermalinkStructure and Bonding. Vol.51 : Electron nuclear double resonance of transition metal complexes with organic ligands / C.K. Jorgensen
PermalinkPermalinkStructure and Bonding. Vol.53 : Copper, molybdenum, and vanadium in biological systems / C.K. Jorgensen
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