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


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Автор: Boustani Ihsan
Название:  Molecular Modelling and Synthesis of Nanomaterials: Applications in Carbon- And Boron-Based Nanotechnology
ISBN: 9783030327286
Издательство: Springer
Классификация:



ISBN-10: 3030327280
Обложка/Формат: Paperback
Страницы: 594
Вес: 0.84 кг.
Дата издания: 15.07.2021
Язык: English
Размер: 23.39 x 15.60 x 3.12 cm
Ссылка на Издательство: Link
Поставляется из: Германии
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


Principles of Nanotechnology: Molecular Based Study of Condensed Matter in Small Systems

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: 8078.00 р.
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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.

2D Boron: Boraphene, Borophene, Boronene

Автор: Matsuda Iwao, Wu Kehui
Название: 2D Boron: Boraphene, Borophene, Boronene
ISBN: 3030499987 ISBN-13(EAN): 9783030499983
Издательство: Springer
Цена: 20962.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

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.

2D Boron: Boraphene, Borophene, Boronene

Автор: Matsuda Iwao, Wu Kehui
Название: 2D Boron: Boraphene, Borophene, Boronene
ISBN: 3030500012 ISBN-13(EAN): 9783030500016
Издательство: Springer
Рейтинг:
Цена: 20962.00 р.
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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.

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

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
Рейтинг:
Цена: 20962.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

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

Nanotubes and nanosheets: functionalization and applications of boron nitride and other nanomaterials

Автор: Chen Y.
Название: Nanotubes and nanosheets: functionalization and applications of boron nitride and other nanomaterials
ISBN: 1466598093 ISBN-13(EAN): 9781466598096
Издательство: Taylor&Francis
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Цена: 29093.00 р.
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Описание:

Reveals Innovative Research on BN Nanotubes and Nanosheets

Nanotubes and Nanosheets: Functionalization and Applications of Boron Nitride and Other Nanomaterials is the first book devoted to nanotubes and nanosheets made of boron nitride (BN). It shows how the properties of BN nanotubes and nanosheets have led to many exciting applications where carbon (C) materials cannot be used, including high-temperature metal-ceramic-based composites, substrates for graphene and other semiconducting layers in electronic devices, reusable absorbents for oil and other contaminants, dry solid lubricants, and biomedical applications.

Researchers working on various aspects of BN nanomaterials share their knowledge and current work on the applications of BN nanotubes and nanosheets. They describe numerous applications, including BN nanotube-reinforced metal-ceramic-based composites, field emission, desalination, cleanup of oil spillages, biosensing and bioimaging, drug delivery, biomedical applications, and energy storage using BCN and TiO2 nanorods and nanosheets as electrode materials. The book also covers C and other nanotubes and nanosheets to give readers a broad view of the latest nanomaterials research.

Environmental Applications Of Nanomaterials: Synthesis, Sorbents And Sensors (2Nd Edition)

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
Рейтинг:
Цена: 38016.00 р.
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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.

Synthesis And Applications Of Optically Active Nanomaterials

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: 12197.00 р.
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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.

Carbon Nanomaterials: Modeling, Design, and Applications

Автор: Kun Zhou
Название: Carbon Nanomaterials: Modeling, Design, and Applications
ISBN: 0815357842 ISBN-13(EAN): 9780815357841
Издательство: Taylor&Francis
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Цена: 28327.00 р.
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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.

Synthesis, Technology and Applications of Carbon Nanomaterials

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: 26107.00 р.
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Описание:

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.

  • Explores the chemical properties of different classes of carbon nanomaterials and their major applications
  • Discusses recent advances in synthesis methods, characterization, and applications of 0D -3D dimensional carbon nanomaterials
Nanocomposites, Nanostructures, and Their Applications: Selected Proceedings of the 6th International Conference Nanotechnology and Nanomaterials (Nan

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
Рейтинг:
Цена: 19564.00 р.
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Environmental Applications of Nanomaterials

Автор: Fryxell, G.E.
Название: Environmental Applications of Nanomaterials
ISBN: 1848168047 ISBN-13(EAN): 9781848168046
Издательство: World Scientific Publishing
Рейтинг:
Цена: 12989.00 р.
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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.

Bio-Inspired Nanomaterials and Applications: Nano Detection, Drug/Gene Delivery, Medical Diagnosis and Therapy

Автор: Donglu Shi
Название: Bio-Inspired Nanomaterials and Applications: Nano Detection, Drug/Gene Delivery, Medical Diagnosis and Therapy
ISBN: 9814616915 ISBN-13(EAN): 9789814616911
Издательство: World Scientific Publishing
Рейтинг:
Цена: 14256.00 р.
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Описание: This book intends to provide an up-to-date information in the field of nanobiomedicine. The focus of the book is on the basic concepts and recent developments in the field of nanotechnology.


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