Molecular Modelling and Synthesis of Nanomaterials: Applications in Carbon- And Boron-Based Nanotechnology, Boustani Ihsan

Автор: Boustani Ihsan
Название: Molecular Modelling and Synthesis of Nanomaterials: Applications in Carbon- And Boron-Based Nanotechnology
ISBN: 3030327256 ISBN-13(EAN): 9783030327255
Издательство: Springer
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Цена: 139750.00 T
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Описание: ForewordPrefaceI Molecular Modelling & Magic Clusters1. Molecular Modelling1.1. Concepts of Molecular Modelling1.1.1. Areas of Molecular Modelling1.1.2. The Basics of Molecular Modelling1.2. Molecular Mechanics1.2.1. Force Field Equation1.2.2. Minimization Procedure1.2.3. Optimization Methods1.2.4. Gradient Methods1.2.5. General Newton-Raphson Method1.3. Molecular Dynamics1.3.1. Trajectory and Equation of Motion1.3.2. Initialization of Positions and Velocities1.3.3. Verlet Algorithm1.3.4. Leap-Frog Algorithm1.4. Ab Initio Quantum Chemical Methods1.4.1. Some Basics of Quantum Mechanics1.4.2. The Hamiltonian1.4.3. Time-dependent Schrцdinger Equation1.4.4. Hartree-Fock Theory1.4.5. Post Hartree-Fock1.5. Density Functional Theory1.5.1. Kohn-Sham Equations1.5.2. Local (Spin) Density Approximation1.5.3. Non-Local Density-Gradient Corrections1.5.4. Hybrid Functionals1.5.5. Chemistry Software2. Magic Numbers & Clusters2.1. Atomic Clusters and Magic Numbers2.2. What are Orbitals and Shells2.2.1. The Structure of Atom2.2.2. Shell Structure of Nucleons2.2.3. Shell Structure of Condensed Clusters2.2.4. Shell Structure of Hollow Clusters2.3. Magic Numbers in Nature2.3.1. Magic Numbers of Electron Shells2.3.2. Magic Numbers of Nuclear Shells2.3.3. Magic Electronic Shells of Clusters2.3.4. Magic Filled Shells of Clusters2.3.5. Magic Hollow Shells of Clusters2.3.6. Magnetic Shells of Electrons3. Alkali Metal Clusters3.1. Alkali Metals3.2. Lithium Metal Clusters3.2.1. Production of Metal Clusters3.2.2. Lithium Atom3.2.3. Lithium Clusters3.2.4. Experimental Evidence3.2.5. Lin Clusters For n 3.2.6. Lin Clusters For n 3.2.7. Lin Clusters For n 3.2.8. Lin Clusters For n 3.3. Sodium Metal Clusters3.3.1. Sodium Atom3.3.2. Sodium Clusters3.3.3. First Study on Small Na Clusters3.3.4. Electronic Shells of Na Clusters3.3.5. Jellium Model for Na Clusters3.3.6. Mass Spectra of Na Clusters3.4. Geometrical Structures of Nan Clusters3.4.1. Nan Clusters for n 3.4.2. The Structure of the Magic Cluster Na83.4.3. Raman Spectra of the Magic Cluster Na83.4.4. Basics of Photoabsorption3.4.5. Nan Clusters for 33.4.6. Nan Clusters for 93.4.7. Nan Clusters for 13II The p-Block Non-Metal Clusters4. The Element Boron4.0.1. History of Boron4.0.2. Energetic Boron4.0.3. Boron Materials4.0.4. Chemistry of Boron4.1. Icosahedral-Based Crystalline Boron4.1.1. First Crystalline4.1.2. Rhombohedral Boron4.1.3. Orthorhombic & Tetragonal Boron4.2. Non-icosahedral Boron Clusters Bn (2 4.2.1. Small Boron clusters4.2.2. Prediction of Planarity & Aufbau Principle4.2.3. Theoretical Confirmations4.2.4. Experimental Confirmations4.2.5. Hydrocarbon and Boron Clusters4.2.6. Coulomb Explosion4.3. Neutral and Charged Boron Clusters Bn (n 4.3.1. Boron Clusters Bn (15 4.3.2. Boron Clusters Bn (26 4.3.3. Boron Clusters Bn (37 4.4. The Largest Predicted Quasi-Planar Cluster B845. The Element

Автор: G Ali Mansoori
Название: Principles of Nanotechnology: Molecular Based Study of Condensed Matter in Small Systems
ISBN: 9812562052 ISBN-13(EAN): 9789812562050
Издательство: World Scientific Publishing
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Цена: 53850.00 T
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Описание: Provides a pointed introduction to the fascinating subject of bottom- up nanotechnology with emphasis on the molecular-based study of condensed matter in small systems.

Автор: Keka Talukdar
Название: Nanomaterials-based composites for energy applications :
ISBN: 1771888067 ISBN-13(EAN): 9781771888066
Издательство: Taylor&Francis
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Цена: 133730.00 T
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Описание: This volume, Nanomaterials-Based Composites for Energy Applications: Emerging Technology and Trends, covers the importance of nanomaterials-based composites for renewable and alternative energy applications. Taking a multidisciplinary approach, it looks at using composites without losing the extraordinary strength of the nanomaterials.

Автор: Matsuda Iwao, Wu Kehui
Название: 2D Boron: Boraphene, Borophene, Boronene
ISBN: 3030499987 ISBN-13(EAN): 9783030499983
Издательство: Springer
Цена: 139750.00 T
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Описание: This book addresses the development, properties, and applications of atomic-layered boron, or, borophene. The authors explain how borophene was predicted and created before investigating the properties that make it a desirable and useful material.

Автор: Matsuda Iwao, Wu Kehui
Название: 2D Boron: Boraphene, Borophene, Boronene
ISBN: 3030500012 ISBN-13(EAN): 9783030500016
Издательство: Springer
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Цена: 139750.00 T
Наличие на складе: Нет в наличии.
Описание: This book addresses the development, properties, and applications of atomic-layered boron, or, borophene. The authors explain how borophene was predicted and created before investigating the properties that make it a desirable and useful material.

Автор: Fryxell Glen E Et Al
Название: Environmental Applications Of Nanomaterials: Synthesis, Sorbents And Sensors (2Nd Edition)
ISBN: 1848168039 ISBN-13(EAN): 9781848168039
Издательство: World Scientific Publishing
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Цена: 253440.00 T
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Описание: Deals with functional nanomaterials, materials containing specific, predictable nanostructures whose chemical composition or interfacial structure enables to perform a specific job. This book addresses some of the environmental remediation and sensing/detection problems faced by mankind.

Автор: Fan Hongyou, Bai Feng
Название: Synthesis And Applications Of Optically Active Nanomaterials
ISBN: 9813222980 ISBN-13(EAN): 9789813222984
Издательство: World Scientific Publishing
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Цена: 81310.00 T
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Описание:

In this book, the synthesis and applications of recent nanomaterials are discussed and reviewed in detail. The scope of the book covers from nanocrystals and their self-assembly, synthesis and applications of optically active porphyrin particles, and synthesis and applications of carbon nanodots. Depending on the categories of the materials, detailed driving forces to self-assembly of the cluster or arrays are discussed. Finally, major applications of each category nanomaterial are discussed.

Nanomaterials discussed in this book are important building blocks for nanoelectronic and nanophotonic device fabrications. Methods to synthesize and functionalize them are crucial to enable their applications in these areas. This book provides readers with detailed description and discussions on synthesis and functionalization of recent optically active nanomaterials. This book is an important tool for researchers in the nanomaterial field. It will be also a great reference for college students to master overall knowledge in the field.

Автор: Kun Zhou
Название: Carbon Nanomaterials: Modeling, Design, and Applications
ISBN: 0815357842 ISBN-13(EAN): 9780815357841
Издательство: Taylor&Francis
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Цена: 188850.00 T
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Описание: Carbon Nanomaterials: Modeling, Design, and Applications provides an in-depth review and analysis of the most important carbon nanomaterials, including fullerenes, carbon nanotubes, graphene and novel carbon nanomaterial-based membranes and thin films, with an emphasis on modeling, design and applications.

Автор: Guang Yang, Muhammad Wajid Ullah, Shi Zhijun
Название: Nanocellulose: Synthesis, Structure, Properties And Applications
ISBN: 1786349469 ISBN-13(EAN): 9781786349460
Издательство: World Scientific Publishing
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Цена: 163680.00 T
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Описание: Nanocellulose, a unique and promising natural material extracted from native cellulose, has received immense interest for its broad spectrum of applications owing to its remarkable physical properties, special surface chemistry, and excellent biological properties

Автор: Rashid, Suraya Abdul
Название: Synthesis, Technology and Applications of Carbon Nanomaterials
ISBN: 0128157577 ISBN-13(EAN): 9780128157572
Издательство: Elsevier Science
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Цена: 174050.00 T
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Synthesis, Technology and Applications of Carbon Nanomaterials explores the chemical properties of different classes of carbon nanomaterials and their major applications. As carbon nanomaterials are used for a variety of applications due to their versatile properties and characteristics, this book discusses recent advances in synthesis methods, characterization, and applications of 0D -3D dimensional carbon nanomaterials. It is an essential resource for readers focusing on carbon nanomaterials research.

Автор: Fesenko Olena, Yatsenko Leonid
Название: Nanocomposites, Nanostructures, and Their Applications: Selected Proceedings of the 6th International Conference Nanotechnology and Nanomaterials (Nan
ISBN: 3030177610 ISBN-13(EAN): 9783030177614
Издательство: Springer
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Цена: 130430.00 T
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Автор: Fryxell, G.E.
Название: Environmental Applications of Nanomaterials
ISBN: 1848168047 ISBN-13(EAN): 9781848168046
Издательство: World Scientific Publishing
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Цена: 86590.00 T
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Описание: Deals with functional nanomaterials, materials containing specific, predictable nanostructures whose chemical composition or interfacial structure enables to perform a specific job. This book addresses some of the environmental remediation and sensing/detection problems faced by mankind.