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Crystal structure refinement [[electronic resource] ] : a crystallographers guide to SHELXL / / Peter Müller ... [et al.] ; edited by Peter Müller
| Crystal structure refinement [[electronic resource] ] : a crystallographers guide to SHELXL / / Peter Müller ... [et al.] ; edited by Peter Müller |
| Pubbl/distr/stampa | Oxford ; ; New York, : Oxford University Press, 2006 |
| Descrizione fisica | 1 online resource (232 p.) |
| Disciplina | 548/.81 |
| Altri autori (Persone) | MüllerPeter <1970-> |
| Collana | IUCR texts on crystalography |
| Soggetto topico |
Crystals - Structure
Crystals - Refining Crystals - Data processing |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-19-152476-X
1-4356-0975-1 1-282-36573-8 9786612365737 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; 1 SHELXL; 1.1 The SHELX program suite; 1.1.1 SHELXTL and other programs; 1.2 SHELXL; 1.2.1 Program organization; 1.2.2 The instruction file name.ins; 1.2.3 The reflection data file name.hkl; 1.2.4 Merging data in SHELXL; 1.2.5 The connectivity table; 2 Crystal structure refinement; 2.1 Least-squares refinement; 2.1.1 Refinement against F or F[sup(2)]-is that a question?; 2.2 Weak data and high-resolution cut-off; 2.3 Residual factors; 2.4 Parameters; 2.5 Constraints; 2.5.1 Site occupancy factors; 2.5.2 Special position constraints; 2.5.3 Rigid group constraints
2.5.4 Floating origin constraints2.5.5 Hydrogen atoms; 2.5.6 Constraints in SHELXL; 2.6 Restraints; 2.6.1 Geometrical restraints; 2.6.2 Restraints on displacement parameters; 2.6.3 Other restraints; 2.7 Free variables in SHELXL; 2.8 Results; 2.8.1 Bond lengths and angles; 2.8.2 Torsion angles; 2.8.3 Atoms on common planes; 2.8.4 Hydrogen bonds; 2.8.5 The RTAB command; 2.8.6 The MORE command; 2.8.7 The .cif file; 2.9 Refinement problems; 3 Hydrogen atoms; 3.1 X--H bond lengths and U[sub(eq)] values of H atoms; 3.2 Hydrogen bound to different atom types; 3.2.1 Hydrogen bound to carbon atoms 3.2.2 Hydrogen bound to nitrogen and oxygen3.2.3 Hydrogen bound to metals; 3.3 Placing hydrogen atoms in SHELXL; 3.3.1 List of most common m and n values in HFIX commands; 3.3.2 Semi-free refinement of acidic hydrogen atoms; 3.4 Hydrogen bonds in SHELXL; 3.5 Examples; 3.5.1 Routine hydrogen atom placement: C[sub(31)]H[sub(54)]MoN[sub(2)]O[sub(2)]; 3.5.2 Hydrogen atoms in a Zr-hydride; 3.5.3 Acidic hydrogen atoms and hydrogen bonds; 4 Atom type assignment; 4.1 All electrons are blue; 4.2 Chemical knowledge; 4.3 Crystallographic knowledge; 4.4 Examples 4.4.1 Tetrameric InCl[sub(3)]-the N or O question4.4.2 A cobalt salt; 4.4.3 Unclear central metal atom; 5 Disorder; 5.1 Types of disorder; 5.1.1 Substitutional disorder; 5.1.2 Positional disorder; 5.1.3 Mess-a special case of disorder; 5.2 Refinement of disorder; 5.2.1 Refinement of disorder with SHELXL; 5.3 Examples; 5.3.1 Gallium-iminosilicate-Disorder of two ethyl groups; 5.3.2 Disorder of a Ti(III) compound; 5.3.3 A mixed crystal treated as occupancy disorder; 5.3.4 Disorder of solvent molecules; 5.3.5 Three types of disorder in one structure: cycloikositetraphenylene; 6 Pseudo-Symmetry 6.1 Global pseudo-symmetry6.2 True NCS; 6.3 Examples; 6.3.1 Pn or P2[sub(1)]/n; 6.3.2 [Si(NH[sub(2)])[sub(2)]CH(SiMe[sub(3)])[sub(2)]][sub(2)]: P1 with Z = 12; 7 Twinning; 7.1 Definition of a Twin; 7.2 Classification of twins; 7.2.1 Twinning by merohedry; 7.2.2 Twinning by pseudo-merohedry; 7.2.3 Twinning by reticular merohedry; 7.2.4 Non-merohedral twins; 7.3 Tests for twinning; 7.4 Structure solution; 7.5 Twin refinement; 7.6 Determination of the absolute structure; 7.7 Warning signs of twinning; 7.8 Examples; 7.8.1 Twinning by merohedry; 7.8.2 An example of pseudo-merohedral twinning 7.8.3 First example of twinning by reticular merohedry |
| Record Nr. | UNINA-9910465139203321 |
| Oxford ; ; New York, : Oxford University Press, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Crystal structure refinement [[electronic resource] ] : a crystallographers guide to SHELXL / / Peter Müller ... [et al.] ; edited by Peter Müller
| Crystal structure refinement [[electronic resource] ] : a crystallographers guide to SHELXL / / Peter Müller ... [et al.] ; edited by Peter Müller |
| Pubbl/distr/stampa | Oxford ; ; New York, : Oxford University Press, 2006 |
| Descrizione fisica | 1 online resource (232 p.) |
| Disciplina | 548/.81 |
| Altri autori (Persone) | MüllerPeter <1970-> |
| Collana | IUCR texts on crystalography |
| Soggetto topico |
Crystals - Structure
Crystals - Refining Crystals - Data processing |
| ISBN |
0-19-152476-X
1-4356-0975-1 1-282-36573-8 9786612365737 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; 1 SHELXL; 1.1 The SHELX program suite; 1.1.1 SHELXTL and other programs; 1.2 SHELXL; 1.2.1 Program organization; 1.2.2 The instruction file name.ins; 1.2.3 The reflection data file name.hkl; 1.2.4 Merging data in SHELXL; 1.2.5 The connectivity table; 2 Crystal structure refinement; 2.1 Least-squares refinement; 2.1.1 Refinement against F or F[sup(2)]-is that a question?; 2.2 Weak data and high-resolution cut-off; 2.3 Residual factors; 2.4 Parameters; 2.5 Constraints; 2.5.1 Site occupancy factors; 2.5.2 Special position constraints; 2.5.3 Rigid group constraints
2.5.4 Floating origin constraints2.5.5 Hydrogen atoms; 2.5.6 Constraints in SHELXL; 2.6 Restraints; 2.6.1 Geometrical restraints; 2.6.2 Restraints on displacement parameters; 2.6.3 Other restraints; 2.7 Free variables in SHELXL; 2.8 Results; 2.8.1 Bond lengths and angles; 2.8.2 Torsion angles; 2.8.3 Atoms on common planes; 2.8.4 Hydrogen bonds; 2.8.5 The RTAB command; 2.8.6 The MORE command; 2.8.7 The .cif file; 2.9 Refinement problems; 3 Hydrogen atoms; 3.1 X--H bond lengths and U[sub(eq)] values of H atoms; 3.2 Hydrogen bound to different atom types; 3.2.1 Hydrogen bound to carbon atoms 3.2.2 Hydrogen bound to nitrogen and oxygen3.2.3 Hydrogen bound to metals; 3.3 Placing hydrogen atoms in SHELXL; 3.3.1 List of most common m and n values in HFIX commands; 3.3.2 Semi-free refinement of acidic hydrogen atoms; 3.4 Hydrogen bonds in SHELXL; 3.5 Examples; 3.5.1 Routine hydrogen atom placement: C[sub(31)]H[sub(54)]MoN[sub(2)]O[sub(2)]; 3.5.2 Hydrogen atoms in a Zr-hydride; 3.5.3 Acidic hydrogen atoms and hydrogen bonds; 4 Atom type assignment; 4.1 All electrons are blue; 4.2 Chemical knowledge; 4.3 Crystallographic knowledge; 4.4 Examples 4.4.1 Tetrameric InCl[sub(3)]-the N or O question4.4.2 A cobalt salt; 4.4.3 Unclear central metal atom; 5 Disorder; 5.1 Types of disorder; 5.1.1 Substitutional disorder; 5.1.2 Positional disorder; 5.1.3 Mess-a special case of disorder; 5.2 Refinement of disorder; 5.2.1 Refinement of disorder with SHELXL; 5.3 Examples; 5.3.1 Gallium-iminosilicate-Disorder of two ethyl groups; 5.3.2 Disorder of a Ti(III) compound; 5.3.3 A mixed crystal treated as occupancy disorder; 5.3.4 Disorder of solvent molecules; 5.3.5 Three types of disorder in one structure: cycloikositetraphenylene; 6 Pseudo-Symmetry 6.1 Global pseudo-symmetry6.2 True NCS; 6.3 Examples; 6.3.1 Pn or P2[sub(1)]/n; 6.3.2 [Si(NH[sub(2)])[sub(2)]CH(SiMe[sub(3)])[sub(2)]][sub(2)]: P1 with Z = 12; 7 Twinning; 7.1 Definition of a Twin; 7.2 Classification of twins; 7.2.1 Twinning by merohedry; 7.2.2 Twinning by pseudo-merohedry; 7.2.3 Twinning by reticular merohedry; 7.2.4 Non-merohedral twins; 7.3 Tests for twinning; 7.4 Structure solution; 7.5 Twin refinement; 7.6 Determination of the absolute structure; 7.7 Warning signs of twinning; 7.8 Examples; 7.8.1 Twinning by merohedry; 7.8.2 An example of pseudo-merohedral twinning 7.8.3 First example of twinning by reticular merohedry |
| Record Nr. | UNINA-9910792246603321 |
| Oxford ; ; New York, : Oxford University Press, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Crystal structure refinement : a crystallographers guide to SHELXL / / Peter Müller ... [et al.] ; edited by Peter Müller
| Crystal structure refinement : a crystallographers guide to SHELXL / / Peter Müller ... [et al.] ; edited by Peter Müller |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Oxford ; ; New York, : Oxford University Press, 2006 |
| Descrizione fisica | 1 online resource (232 p.) |
| Disciplina |
548/.81
548.81 |
| Altri autori (Persone) | MüllerPeter <1970-> |
| Collana | IUCR texts on crystalography |
| Soggetto topico |
Crystals - Structure
Crystals - Refining Crystals - Data processing |
| ISBN |
0-19-152476-X
1-4356-0975-1 1-282-36573-8 9786612365737 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; 1 SHELXL; 1.1 The SHELX program suite; 1.1.1 SHELXTL and other programs; 1.2 SHELXL; 1.2.1 Program organization; 1.2.2 The instruction file name.ins; 1.2.3 The reflection data file name.hkl; 1.2.4 Merging data in SHELXL; 1.2.5 The connectivity table; 2 Crystal structure refinement; 2.1 Least-squares refinement; 2.1.1 Refinement against F or F[sup(2)]-is that a question?; 2.2 Weak data and high-resolution cut-off; 2.3 Residual factors; 2.4 Parameters; 2.5 Constraints; 2.5.1 Site occupancy factors; 2.5.2 Special position constraints; 2.5.3 Rigid group constraints
2.5.4 Floating origin constraints2.5.5 Hydrogen atoms; 2.5.6 Constraints in SHELXL; 2.6 Restraints; 2.6.1 Geometrical restraints; 2.6.2 Restraints on displacement parameters; 2.6.3 Other restraints; 2.7 Free variables in SHELXL; 2.8 Results; 2.8.1 Bond lengths and angles; 2.8.2 Torsion angles; 2.8.3 Atoms on common planes; 2.8.4 Hydrogen bonds; 2.8.5 The RTAB command; 2.8.6 The MORE command; 2.8.7 The .cif file; 2.9 Refinement problems; 3 Hydrogen atoms; 3.1 X--H bond lengths and U[sub(eq)] values of H atoms; 3.2 Hydrogen bound to different atom types; 3.2.1 Hydrogen bound to carbon atoms 3.2.2 Hydrogen bound to nitrogen and oxygen3.2.3 Hydrogen bound to metals; 3.3 Placing hydrogen atoms in SHELXL; 3.3.1 List of most common m and n values in HFIX commands; 3.3.2 Semi-free refinement of acidic hydrogen atoms; 3.4 Hydrogen bonds in SHELXL; 3.5 Examples; 3.5.1 Routine hydrogen atom placement: C[sub(31)]H[sub(54)]MoN[sub(2)]O[sub(2)]; 3.5.2 Hydrogen atoms in a Zr-hydride; 3.5.3 Acidic hydrogen atoms and hydrogen bonds; 4 Atom type assignment; 4.1 All electrons are blue; 4.2 Chemical knowledge; 4.3 Crystallographic knowledge; 4.4 Examples 4.4.1 Tetrameric InCl[sub(3)]-the N or O question4.4.2 A cobalt salt; 4.4.3 Unclear central metal atom; 5 Disorder; 5.1 Types of disorder; 5.1.1 Substitutional disorder; 5.1.2 Positional disorder; 5.1.3 Mess-a special case of disorder; 5.2 Refinement of disorder; 5.2.1 Refinement of disorder with SHELXL; 5.3 Examples; 5.3.1 Gallium-iminosilicate-Disorder of two ethyl groups; 5.3.2 Disorder of a Ti(III) compound; 5.3.3 A mixed crystal treated as occupancy disorder; 5.3.4 Disorder of solvent molecules; 5.3.5 Three types of disorder in one structure: cycloikositetraphenylene; 6 Pseudo-Symmetry 6.1 Global pseudo-symmetry6.2 True NCS; 6.3 Examples; 6.3.1 Pn or P2[sub(1)]/n; 6.3.2 [Si(NH[sub(2)])[sub(2)]CH(SiMe[sub(3)])[sub(2)]][sub(2)]: P1 with Z = 12; 7 Twinning; 7.1 Definition of a Twin; 7.2 Classification of twins; 7.2.1 Twinning by merohedry; 7.2.2 Twinning by pseudo-merohedry; 7.2.3 Twinning by reticular merohedry; 7.2.4 Non-merohedral twins; 7.3 Tests for twinning; 7.4 Structure solution; 7.5 Twin refinement; 7.6 Determination of the absolute structure; 7.7 Warning signs of twinning; 7.8 Examples; 7.8.1 Twinning by merohedry; 7.8.2 An example of pseudo-merohedral twinning 7.8.3 First example of twinning by reticular merohedry |
| Record Nr. | UNINA-9910818573003321 |
| Oxford ; ; New York, : Oxford University Press, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Data mining-aided crystal engineering for the design of transparent conducting oxides [[electronic resource] ] : preprint / / Changwon Suh ... [and others]
| Data mining-aided crystal engineering for the design of transparent conducting oxides [[electronic resource] ] : preprint / / Changwon Suh ... [and others] |
| Pubbl/distr/stampa | [Golden, CO] : , : National Renewable Energy Laboratory, , [2010] |
| Descrizione fisica | 1 online resource (7 pages) : color illustrations |
| Altri autori (Persone) | SuhChangwon |
| Collana | NREL/CP |
| Soggetto topico |
Data mining
Crystals - Structure Materials - Research |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Data Mining-Aided Crystal Engineering for the Design of Transparent Conducting Oxides |
| Record Nr. | UNINA-9910703024203321 |
| [Golden, CO] : , : National Renewable Energy Laboratory, , [2010] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Elements of structures and defects of crystalline materials / / Tsang-Tse Fang
| Elements of structures and defects of crystalline materials / / Tsang-Tse Fang |
| Autore | Fang Tsang-Tse |
| Pubbl/distr/stampa | Amsterdam, Netherlands : , : Elsevier, , 2018 |
| Descrizione fisica | 1 online resource (216 pages) : illustrations |
| Disciplina | 548.81 |
| Soggetto topico |
Crystals - Structure
Crystals - Defects |
| ISBN |
0-12-814269-3
0-12-814268-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Machine generated contents note: ; pt. I Structures of the Crystalline Materials -- ; 1. The Electron Configuration of Atoms -- ; 1.1. Atoms With a Single Electron -- ; 1.2. Atoms With More Than One Electron -- ; 1.2.1. Penetration and Shielding -- ; 1.2.2. Energetic d-Orbital Collapse of Free Neutral Atoms at the Beginning of the Transition Rows -- ; 2. Bonding Within Crystal Structures -- ; 2.1. Bonding in Ionic Crystals -- ; 2.1.1. Energy for Forming the Ions From Neutral Atoms -- ; 2.1.2. Thermodynamic Viewpoint of Bond Energy -- ; 2.2. Covalent Bonds -- ; 2.2.1. Formation Energy and Mechanism of Covalent Bonding -- ; 2.3. Metallic Bonds -- ; 2.3.1. Cohesive Energy of Metals -- ; 2.4. Effect of Bonding on the Material Properties by Means of the Potential-Well Concept -- ; 2.4.1. Elastic Modulus -- ; 2.4.2. Melting Temperatures -- ; 2.4.3. Thermal Property -- ; 3. The Structures of Crystalline Crystals -- ; 3.1. Arrangements of Atoms and Ions in Crystalline Solids: Space Lattice -- ; 3.2. Metallic Structures -- ; 3.3. Ionic Structures -- ; 3.3.1. Pauling's Rules -- ; 3.4. Structural Distortion in Ionic Structures -- ; 3.4.1. Effects of Crystal Field on the Structures of the Oxides -- ; 3.4.2. Crystal Field Stabilization Energy -- ; 3.4.3. Effects of the d Electron Configuration on the Radii of Transition Metal Ions -- ; 3.4.4. Jahn -- Teller Distortions -- ; 3.4.5. Structure Distortions Arising From Asymmetric Electron Density or Inert Pair Effect -- ; 3.5. Structure of Material Technological Interest -- ; 3.5.1. Structure and the Related Feature of ZnO -- ; 3.5.2. Structure and the Related Feature of SiC -- ; 3.5.3. Structure and the Related Feature of TiO2 -- ; 3.5.4. Structure and the Related Feature of ZrO2 -- ; 3.5.5. Structure and the Related Feature of Spinel (AB2O4) -- ; 3.5.6. Structure and the Related Feature of Perovskite ABO3 -- ; pt. II Defects of Crystalline Materials -- ; 4. Point Defects in Crystalline Materials -- ; 4.1. Point Defects in Metals -- ; 4.1.1. Solid Solutions -- ; 4.1.2. Factors Affecting the Solubility of Impurity Atoms in a Substitutional Solid Solution -- ; 4.1.3. Factors Affecting the Solubility of the Impurity Atoms in an Interstitial Solid Solution -- ; 4.1.4. Equilibrium Concentration of Point Defects -- ; 4.2. Point Defects in Ionic Solids -- ; 4.2.1. Notation for the Description of Point Defects in Binary Metal Oxides -- ; 4.2.2. Defect Structures in Stoichiometric Ionic Crystals -- ; 4.2.3. Defect Structures in Nonstoichiometric Ionic Crystals -- ; 4.2.4. Defect Reactions -- ; 4.2.5. Formulation of Defect Equations -- ; 4.2.6. Defect Equilibrium in Ionic Solids -- ; 4.2.7. Defect Association -- ; 5. Line Defects in Crystalline Solids -- ; 5.1. The Discrepancy Between the Theoretical and Observed Yield Stresses of Crystals -- ; 5.2. Observations of Dislocations -- ; 5.3. Crystallographic Slip -- ; 5.4. Elementary Geometric Characteristics of Dislocations -- ; 5.4.1. The Edge Dislocation -- ; 5.4.2. The Screw Dislocation -- ; 5.4.3. The Mixed Dislocation -- ; 5.5. Critical Resolved Shear Stress -- ; 5.6. Plastic Flow Associated With the Slip of the Dislocation Motion -- ; 5.7. Stress Fields of Dislocations -- ; 5.7.1. Constitutive Equations With Lame Constants -- ; 5.7.2. Stress Field of a Screw Dislocation -- ; 5.7.3. Stress Fields of an Edge Dislocation -- ; 5.8. Energy of a Dislocation -- ; 5.8.1. Strain Energy of a Screw Dislocation -- ; 5.8.2. Strain Energy of an Edge Dislocation -- ; 5.9. Line Tension of a Dislocation -- ; 5.10. Forces Upon Dislocations -- ; 5.11. The Bowing of a Dislocation -- ; 5.12. Force Between Dislocations -- ; 5.13. Peach-Koehler Equation -- ; 5.14. Reactions Between Dislocations -- ; 5.14.1. Dislocation Nodes -- ; 5.14.2. Kinks and Jogs -- ; 5.14.3. Intersections of Dislocations -- ; 5.15. Extended Dislocations -- ; 5.15.1. Partial Dislocations -- ; 5.15.2. Faults in the Stacking in FCC Crystals -- ; 5.15.3. Equilibrium Separation Between Partial Dislocations -- ; 6. Two-Dimensional (Interfaces) and Three-Dimensional (Second Phases) Imperfections in Solids -- ; 6.1. Grain Boundaries -- ; 6.1.1. Tilt Boundary -- ; 6.1.2. Twist Boundary -- ; 6.1.3. Coincidence Site Lattice -- ; 6.2. Interphase Boundaries in Solids -- ; 6.2.1. Coherent Boundary -- ; 6.2.2. Incoherent Boundary -- ; 6.2.3. Partially Coherent or Semicoherent Boundary -- ; 6.3. Surface Tension, Surface Stress, and Surface Free Energy of Interfaces -- ; 6.4. Free Surface -- ; 6.4.1. Calculate the Surface Free Energy of a Pure Solid FCC Metal -- ; 6.5. Interfaces of Phases -- ; 6.5.1. Wetting -- ; 6.5.2. Equilibrium Shapes of Grains -- ; 6.5.3. Morphological Changes of Second Phases -- ; 6.6. Effect of Interface Curvature on the Equilibrium Pressure Between Two Phases -- ; 6.7. Effect of the Interface Curvature on the Equilibrium Solubility Between Two Phases -- ; 6.8. Equilibrium Vacancy Concentration Changes at Curved Surfaces: Driving Force for Sintering.
Pt. 1. Structure of the crystalline materials -- The electron configuration of atoms -- Bonding within crystal structures -- The structures of crystalline crystals -- Part II. Defects of Crystalline Materials -- Point defects in crystalline materials -- Line defects in crystalline solids -- Two-dimensional (interfaces) and three-dimensional (second phases) imperfections in solids. |
| Record Nr. | UNINA-9910583471603321 |
Fang Tsang-Tse
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| Amsterdam, Netherlands : , : Elsevier, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Pharmaceutical crystals : science and engineering / / edited by Tonglei Li, Alessandra Mattei
| Pharmaceutical crystals : science and engineering / / edited by Tonglei Li, Alessandra Mattei |
| Edizione | [First edition.] |
| Pubbl/distr/stampa | Hoboken, NJ : , : John Wiley & Sons, , [2019] |
| Descrizione fisica | 1 online resource (541 pages) |
| Disciplina | 548 |
| Collana | THEi Wiley ebooks |
| Soggetto topico |
Crystals - Structure
Pharmaceutical chemistry Drug development |
| ISBN |
1-119-04634-3
1-119-04620-3 1-119-04623-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Crystallography -- Nucleation -- Solid-state characterization techniques -- Intermolecular interactions and computational modeling -- Polymorphism and phase transitions -- Measurement and mathematical relationships of cocrystal thermodynamic properties -- Mechanical properties -- Primary processing of organic crystals -- Secondary processing of organic crystals -- Chemical stability and reaction -- Crystalline nanoparticles. |
| Record Nr. | UNINA-9910554855303321 |
| Hoboken, NJ : , : John Wiley & Sons, , [2019] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Pharmaceutical crystals : science and engineering / / edited by Tonglei Li, Alessandra Mattei
| Pharmaceutical crystals : science and engineering / / edited by Tonglei Li, Alessandra Mattei |
| Edizione | [First edition.] |
| Pubbl/distr/stampa | Hoboken, NJ : , : John Wiley & Sons, , [2019] |
| Descrizione fisica | 1 online resource (541 pages) |
| Disciplina | 548 |
| Collana | THEi Wiley ebooks |
| Soggetto topico |
Crystals - Structure
Pharmaceutical chemistry Drug development |
| ISBN |
1-119-04634-3
1-119-04620-3 1-119-04623-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Crystallography -- Nucleation -- Solid-state characterization techniques -- Intermolecular interactions and computational modeling -- Polymorphism and phase transitions -- Measurement and mathematical relationships of cocrystal thermodynamic properties -- Mechanical properties -- Primary processing of organic crystals -- Secondary processing of organic crystals -- Chemical stability and reaction -- Crystalline nanoparticles. |
| Record Nr. | UNINA-9910819532903321 |
| Hoboken, NJ : , : John Wiley & Sons, , [2019] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Structure and bonding in crystalline materials / / Gregory S. Rohrer [[electronic resource]]
| Structure and bonding in crystalline materials / / Gregory S. Rohrer [[electronic resource]] |
| Autore | Rohrer Gregory S. |
| Pubbl/distr/stampa | Cambridge : , : Cambridge University Press, , 2001 |
| Descrizione fisica | 1 online resource (x, 540 pages) : digital, PDF file(s) |
| Disciplina | 548.3 |
| Soggetto topico |
Crystals - Structure
Chemical bonds |
| ISBN |
1-139-93070-2
1-107-11883-2 0-511-04071-7 0-511-15333-3 0-511-55642-X 0-511-81611-1 0-511-04921-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover; Half-title; Title; Copyright; Contents; Preface; Chapter 1 Introduction; Chapter 2 Basic Structural Concepts; Chapter 3 Symmetry in Crystal Structures; Chapter 4 Crystal Structures; Chapter 5 Diffraction; Chapter 6 Secondary Bonding; Chapter 7 Ionic Bonding; Chapter 8 Metallic Bonding; Chapter 9 Covalent Bonding; Chapter 10 Models for Predicting Phase Stability and Structure; Appendix 1A Crystal and univalent radii; Appendix 2A Computing distances using the metric tensor; Appendix 2B Computing unit cell volumes; Appendix 2C Computing interplanar spacings
Appendix 3A The 230 space groupsAppendix 3B Selected crystal structure data; Appendix 5A Introduction to Fourier series; Appendix 5B Coefficients for atomic scattering factors; Appendix 7A Evaluation of the Madelung constant; Appendix 7B Ionic radii for halides and chalcogenides; Appendix 7C Pauling electronegativities; Appendix 9A Cohesive energies and band gap data; Appendix 9B Atomic orbitals and the electronic structure of the atom; Index |
| Altri titoli varianti | Structure & Bonding in Crystalline Materials |
| Record Nr. | UNINA-9910450240303321 |
|
Rohrer Gregory S.
|
||
| Cambridge : , : Cambridge University Press, , 2001 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Structure and bonding in crystalline materials / / Gregory S. Rohrer [[electronic resource]]
| Structure and bonding in crystalline materials / / Gregory S. Rohrer [[electronic resource]] |
| Autore | Rohrer Gregory S. |
| Pubbl/distr/stampa | Cambridge : , : Cambridge University Press, , 2001 |
| Descrizione fisica | 1 online resource (x, 540 pages) : digital, PDF file(s) |
| Disciplina | 548.3 |
| Soggetto topico |
Crystals - Structure
Chemical bonds |
| ISBN |
1-139-93070-2
1-107-11883-2 0-511-04071-7 0-511-15333-3 0-511-55642-X 0-511-81611-1 0-511-04921-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover; Half-title; Title; Copyright; Contents; Preface; Chapter 1 Introduction; Chapter 2 Basic Structural Concepts; Chapter 3 Symmetry in Crystal Structures; Chapter 4 Crystal Structures; Chapter 5 Diffraction; Chapter 6 Secondary Bonding; Chapter 7 Ionic Bonding; Chapter 8 Metallic Bonding; Chapter 9 Covalent Bonding; Chapter 10 Models for Predicting Phase Stability and Structure; Appendix 1A Crystal and univalent radii; Appendix 2A Computing distances using the metric tensor; Appendix 2B Computing unit cell volumes; Appendix 2C Computing interplanar spacings
Appendix 3A The 230 space groupsAppendix 3B Selected crystal structure data; Appendix 5A Introduction to Fourier series; Appendix 5B Coefficients for atomic scattering factors; Appendix 7A Evaluation of the Madelung constant; Appendix 7B Ionic radii for halides and chalcogenides; Appendix 7C Pauling electronegativities; Appendix 9A Cohesive energies and band gap data; Appendix 9B Atomic orbitals and the electronic structure of the atom; Index |
| Altri titoli varianti | Structure & Bonding in Crystalline Materials |
| Record Nr. | UNINA-9910783160603321 |
|
Rohrer Gregory S.
|
||
| Cambridge : , : Cambridge University Press, , 2001 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Structure and bonding in crystalline materials / / Gregory S. Rohrer [[electronic resource]]
| Structure and bonding in crystalline materials / / Gregory S. Rohrer [[electronic resource]] |
| Autore | Rohrer Gregory S. |
| Pubbl/distr/stampa | Cambridge : , : Cambridge University Press, , 2001 |
| Descrizione fisica | 1 online resource (x, 540 pages) : digital, PDF file(s) |
| Disciplina | 548.3 |
| Soggetto topico |
Crystals - Structure
Chemical bonds |
| ISBN |
1-139-93070-2
1-107-11883-2 0-511-04071-7 0-511-15333-3 0-511-55642-X 0-511-81611-1 0-511-04921-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover; Half-title; Title; Copyright; Contents; Preface; Chapter 1 Introduction; Chapter 2 Basic Structural Concepts; Chapter 3 Symmetry in Crystal Structures; Chapter 4 Crystal Structures; Chapter 5 Diffraction; Chapter 6 Secondary Bonding; Chapter 7 Ionic Bonding; Chapter 8 Metallic Bonding; Chapter 9 Covalent Bonding; Chapter 10 Models for Predicting Phase Stability and Structure; Appendix 1A Crystal and univalent radii; Appendix 2A Computing distances using the metric tensor; Appendix 2B Computing unit cell volumes; Appendix 2C Computing interplanar spacings
Appendix 3A The 230 space groupsAppendix 3B Selected crystal structure data; Appendix 5A Introduction to Fourier series; Appendix 5B Coefficients for atomic scattering factors; Appendix 7A Evaluation of the Madelung constant; Appendix 7B Ionic radii for halides and chalcogenides; Appendix 7C Pauling electronegativities; Appendix 9A Cohesive energies and band gap data; Appendix 9B Atomic orbitals and the electronic structure of the atom; Index |
| Altri titoli varianti | Structure & Bonding in Crystalline Materials |
| Record Nr. | UNINA-9910813670703321 |
|
Rohrer Gregory S.
|
||
| Cambridge : , : Cambridge University Press, , 2001 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
