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Structural Chemistry, Mihai V. Putz; Fanica Cimpoesu; Marilena Ferbintea


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Автор: Mihai V. Putz; Fanica Cimpoesu; Marilena Ferbintea
Название:  Structural Chemistry
ISBN: 9783030096137
Издательство: Springer
Классификация:



ISBN-10: 3030096130
Обложка/Формат: Soft cover
Страницы: 802
Вес: 1.68 кг.
Дата издания: 2018
Язык: English
Издание: Softcover reprint of
Иллюстрации: 177 illustrations, color; 16 illustrations, black and white; xxx, 802 p. 193 illus., 177 illus. in color.
Размер: 234 x 216 x 38
Читательская аудитория: Professional & vocational
Основная тема: Chemistry
Подзаголовок: Principles, Methods, and Case Studies
Ссылка на Издательство: Link
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Поставляется из: Германии
Описание:
This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles and techniques that are important in property design. Themes covered include conceptual and applied wave functions and density functional theory (DFT) methods, electronegativity and hard and soft (Lewis) acid and base (HSAB) concepts, hybridization and aromaticity, molecular magnetism, spin transition and thermochromism. Offering insights into designing new properties in advanced functional materials, it is a valuable resource for undergraduates of physical chemistry, cluster chemistry and structure/reactivity courses as well as graduates and researchers in the fields of physical chemistry, chemical modeling and functional materials.

Дополнительное описание:
Atomic Structure and Quantum Mechanics.- Wave Function Theories and Electron Structure Methods. Quantum Chemistry, from Atoms to Molecules.- Density Functional Theory: from conceptual level towards practical functionality.- Bond! Chemical Bond. Elect



Problems in structural inorganic chemistry

Автор: Li, Wai-kee
Название: Problems in structural inorganic chemistry
ISBN: 0198823916 ISBN-13(EAN): 9780198823919
Издательство: Oxford Academ
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Цена: 8237.00 р.
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Описание: This textbook offers over 400 problems and solutions in structural inorganic chemistry for senior undergraduates and beginning graduates. It is an updated companion text to Advanced Structural Inorganic Chemistry by the same authors. The new edition adds over 100 new problems and three new chapters on metal compounds and bioinorganic chemistry.

Introduction to Structural Chemistry

Автор: Stepan S. Batsanov; Andrei S. Batsanov
Название: Introduction to Structural Chemistry
ISBN: 9400793960 ISBN-13(EAN): 9789400793965
Издательство: Springer
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Цена: 22201.00 р.
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Описание:

1. Atom
1.1. Ionization potentials and electron affinities
1.1.1. Ionization potentials of atoms
1.1.2. Electron affinity
1.2. Effective nuclear charge
1.3. Absolute dimensions of atoms
1.4. Radii of atoms in molecules and crystals
1.4.1. Historical outline
1.4.2. Metallic radii
1.4.3. Covalent radii
1.5. Radii of ions in molecules and crystals
1.5.1. Methods of estimating ionic radii
1.5.2. Experimental (bonded) ionic radii
1.5.3. Energy-derived ionic radii
1.5.4. Ultimate ionic radii

2. Chemical bond
2.1. Historical development of the concept
2.2. Types of bonds: covalent, ionic, polar, metallic
2.2.1. Ionic bond
2.2.2. Covalent bond
2.2.3. Polar bond, effective charges of atoms
2.2.4. Metallic bond
2.2.5. Effective valences of atoms
2.3. Energies of the chemical interactions of atoms
2.3.1. Bond energies in molecules and radicals
2.3.2. Bond energies in crystals
2.3.3. Crystal lattice energies
2.3.4. Band gaps in solids
2.4. Concept of electronegativity
2.4.1. Discussion about electronegativity
2.4.2. Thermochemical electronegativities
2.4.3. Ionization electronegativities
2.4.4. Geometrical electronegativities
2.4.5. Recommended system of electronegativities of atoms and radicals
2.4.6. Equalization of electronegativities and atomic charges
2.5. Effective charges of atoms and chemical behavior
2.6. Change of chemical bond character under pressure
2.7. Conclusions

3. "Small" molecule.
3.1. Introduction
3.2. Inorganic molecules and radicals
3.2.1. Bond distances
3.2.2. Bond angles. VSEPR concept
3.2.3. Non-stoichiometric and unusual molecules
3.3. Organic molecules
3.4. Organometallic compounds
3.5. Clusters
3.5.1. Boron clusters
3.5.2. Transition metal clusters
3.5.3. Clusters of main group elements
3.5.4. Fullerenes
3.6. Coordination compounds

4. Intermolecular forces
4.1. Van der Waals interaction
4.2. Interdependence of the lengths of covalent and van der Waals bonds
4.3. Van der Waals radii
4.3.1. Introduction
4.3.2. Crystallographic van der Waals radii
4.3.3. Equilibrium radii of atoms
4.3.4. Anisotropic van der Waals radii
4.3.5. Concluding remarks
4.4. Donor-acceptor interactions
4.5. Hydrogen bond

5. Crystal structure - idealised
5.1. Structures of elements
5.1.1. Structures of metals
5.1.2. Structures of non-metals
5.2. Binary inorganic crystalline compounds
5.2.1 Crystal structures of halides, oxides, chalcogenides, pnictides
5.2.2 Structures of compounds with diverse bonds
5.3. Interconversions of crystal structures
5.4. Effective coordination number
5.5. Bond valence (bond strength, bond order)
5.6. Ternary compounds
5.7. Structural features of silicates

6. Crystal structure - real
6.1. Thermal motion
6.2. Lindemann's hypothesis
6.3. Defects in crystals
6.3.1. Classification of defects
6.3.2. Defects induced by shock waves
6.3.3. Real structure and melting of solids
6.4. Isomorphism and solid solutions

7. Amorphous state
7.1. Dispersing powders
7.2. Amorphous solids, glasses
7.3. Structure of melts
7.4. Structure of aqueous solutions

8. Between molecule and solid
8.1. Energetic properties of clusters and nanoparticles
8.1.1. Melting temperatures and heats under transition from bulk to nanophases
8.1.2. Energy variation under transition from bulk to clusters
8.2. Changes of atomic structure on transition from bulk solids to nanophases
8.3. Size effect in the dielectric permittivity of crystals
8.3.1. Effect of the energy factor
8.3.2. Effect of the phase c

Solved and Unsolved Problems of Structural Chemistry

Автор: Randic, Milan , Novic, Marjana , Plavsic, Dejan
Название: Solved and Unsolved Problems of Structural Chemistry
ISBN: 0367862263 ISBN-13(EAN): 9780367862268
Издательство: Taylor&Francis
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Цена: 7348.00 р.
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Описание:

Solved and Unsolved Problems of Structural Chemistry introduces new methods and approaches for solving problems related to molecular structure. It includes numerous subjects such as aromaticity--one of the central themes of chemistry--and topics from bioinformatics such as graphical and numerical characterization of DNA, proteins, and proteomes. It also outlines the construction of novel tools using techniques from discrete mathematics, particularly graph theory, which allowed problems to be solved that many had considered unsolvable.

The book discusses a number of important problems in chemistry that have not been fully understood or fully appreciated, such as the notion of aromaticity and conjugated circuits, the generalized Hьckel 4n + 2 Rule, and the nature of quantitative structure-property-activity relationships (QSARs), which have resulted in only partially solved problems and approximated solutions that are inadequate. It also describes advantages of mathematical descriptors in QSAR, including their use in screening combinatorial libraries to search for structures with high similarity to the target compounds.

Selected problems that this book addresses include:

  • Multiple regression analysis (MRA)
  • Insufficient use of partial ordering in chemistry
  • The role of Kekulй valence structures
  • The problem of protein and DNA alignment

Solved and Unsolved Problems of Structural Chemistry collects results that were once scattered in scientific literature into a thoughtful and compact volume. It sheds light on numerous problems in chemistry, including ones that appeared to have been solved but were actually only partially solved. Most importantly, it shows more complete solutions as well as methods and approaches that can lead to actualization of further solutions to problems in chemistry.

Physical Chemistry for the Life Sciences, 2010

Автор: Atkins, Peter (Fellow of Lincoln College, University of Oxford) De Paula, Julio (Professor of Chemistry and Dean of College of Arts & Sciences, Lewis
Название: Physical Chemistry for the Life Sciences, 2010
ISBN: 0199564280 ISBN-13(EAN): 9780199564286
Издательство: Oxford Academ
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Цена: 23442.00 р.
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Описание: Provides a rich collection of analytical essays penned by those who have been closely associated with Pradeep worldwide. The broad message that comes from the contributions is the importance of open global trading systems, competitive and contestable markets domestically, coordination and regulation of national and global action on this, effective partnerships and representative global governance.

Practical guide to microstructural analysis of cementitious materials

Название: Practical guide to microstructural analysis of cementitious materials
ISBN: 1138747238 ISBN-13(EAN): 9781138747234
Издательство: Taylor&Francis
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Цена: 11789.00 р.
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Описание: A Practical Guide from Top-Level Industry Scientists As advanced teaching and training in the development of cementitious materials increase, the need has emerged for an up-to-date practical guide to the field suitable for graduate students and junior and general practitioners. Get the Best Use of Different Techniques and Interpretations of the Results This edited volume provides the cement science community with a state-of-the-art overview of analytical techniques used in cement chemistry to study the hydration and microstructure of cements. Each chapter focuses on a specific technique, not only describing the basic principles behind the technique, but also providing essential, practical details on its application to the study of cement hydration. Each chapter sets out present best practice, and draws attention to the limitations and potential experimental pitfalls of the technique. Databases that supply examples and that support the analysis and interpretation of the experimental results strengthen a very valuable ready reference. Utilizing the day-to-day experience of practical experts in the field, this book: Covers sample preparation issues Discusses commonly used techniques for identifying and quantifying the phases making up cementitious materials (X-ray diffraction and thermogravimetric analysis) Presents good practice oncalorimetry and chemical shrinkage methods for studying cement hydration kinetics Examines two different applications of nuclear magnetic resonance (solid state NMR and proton relaxometry) Takes a look at electron microscopy, the preeminent microstructural characterization technique for cementitious materials Explains how to use and interpret mercury intrusion porosimetry Details techniques for powder characterization of cementitious materials Outlines the practical application of phase diagrams for hydrated cements Avoid common pitfalls by using A Practical Guide to Microstructural Analysis of Cementitious Materials. A one-of-a-kind reference providing the do’s and don’ts of cement chemistry, the book presents the latest research and development of characterisation techniques for cementitious materials, and serves as an invaluable resource for practicing professionals specializing in cement and concrete materials and other areas of cement and concrete technology.

Problems in structural inorganic chemistry

Автор: Li, Wai-kee (formerly Emeritus Professor, Department Of Chemistry, The Chinese University Of Hong Kong) Lee, Hung Kay (associate Professor, Department
Название: Problems in structural inorganic chemistry
ISBN: 0198823908 ISBN-13(EAN): 9780198823902
Издательство: Oxford Academ
Рейтинг:
Цена: 15206.00 р.
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Описание: This textbook offers over 400 problems and solutions in structural inorganic chemistry for senior undergraduates and beginning graduates. It is an updated companion text to Advanced Structural Inorganic Chemistry by the same authors. The new edition adds over 100 new problems and three new chapters on metal compounds and bioinorganic chemistry.

Structural Chemistry of Boron and Silicon

Автор: N. Viktorovich Alekseev; Gert Heller; Kurt Niedenz
Название: Structural Chemistry of Boron and Silicon
ISBN: 366215207X ISBN-13(EAN): 9783662152072
Издательство: Springer
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Цена: 6986.00 р.
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