Ebook: SelfOrganization of Molecular Systems: From Molecules and Clusters to Nanotubes and Proteins

This book unveils and formulates the principal features that govern myriads of the molecular self-organization processes in micro-, nano-, and macro-dimensions from the following key representatives such as liquid water and aqueous solutions, and molecular liquids, nanodots, nanoparticles including gold, solitons, biomolecules such as DNA and proteins, biopolymers and biosensors, catalysis, molecular modeling, molecular devices, and thin films, and to offer another, more advanced directions in computational, experimental, and technological areas of nano- and bioscience towards engineering novel and powerful molecular self-organized assemblies with tailored properties.

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This book unveils and formulates the principal features that govern myriads of the molecular self-organization processes in micro-, nano-, and macro-dimensions from the following key representatives such as liquid water and aqueous solutions, and molecular liquids, nanodots, nanoparticles including gold, solitons, biomolecules such as DNA and proteins, biopolymers and biosensors, catalysis, molecular modeling, molecular devices, and thin films, and to offer another, more advanced directions in computational, experimental, and technological areas of nano- and bioscience towards engineering novel and powerful molecular self-organized assemblies with tailored properties.

Content:
Front Matter....Pages i-xiv
Recent Progress on Small Hydrogen Molecular Ions....Pages 1-10
FDTD Studies of Metallic Nanoparticle Systems....Pages 11-32
Exploring the Nitric Oxide Detoxification Mechanism of Mycobacterium tuberculosis Truncated Haemoglobin N....Pages 33-47
Complex Symmetry, Jordan Blocks and Microscopic Self-organization....Pages 49-87
Directed Transport of the Davydov Solitons by Unbiased a.c. Forces....Pages 89-102
Some Properties of Solitons....Pages 103-121
Spectral Effects of Resonance Dynamic Intermolecular Interaction for Crystalline Carboxylic Acids at Temperature Phase Transitions....Pages 123-133
Linear Augmented Cylindrical Wave Method for Electronic Structure of Isolated, Embedded, and Double-Walled Nanotubes....Pages 135-169
Anharmonicity and Soliton-Mediated Transport: Thermal Solitons, Solectrons and Electric Transport in Nonlinear Conducting Lattices....Pages 171-198
How Exponential Type Orbitals Recently Became a Viable Basis Set Choice in Molecular Electronic Structure Work and When to Use Them....Pages 199-219
Cation Hydrolysis Phenomenon in Aqueous Solution: Towards Understanding It by Computer Simulations....Pages 221-253
Davydov's Solitons in DNA....Pages 255-273
Potential Energy Surfaces for Reaction Catalyzed by Metalloenzymes from Quantum Chemical Computations....Pages 275-313
Gold in Hydrogen Bonding Motif—Fragments of Essay....Pages 315-334
Interatomic Potential for Platinum and Self-Diffusion on Pt(111) Surface by Molecular-Dynamics Simulation....Pages 335-344
Gap-Townes Solitons and Delocalizing Transitions of Multidimensional Bose–Einstein Condensates in Optical Lattices....Pages 345-357
Hydration Effects on Photophysical Properties of Collagen....Pages 359-383
Cluster Quantum Chemical Study of the Grignard Reagent Formation....Pages 385-397
Back Matter....Pages 399-400

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This book unveils and formulates the principal features that govern myriads of the molecular self-organization processes in micro-, nano-, and macro-dimensions from the following key representatives such as liquid water and aqueous solutions, and molecular liquids, nanodots, nanoparticles including gold, solitons, biomolecules such as DNA and proteins, biopolymers and biosensors, catalysis, molecular modeling, molecular devices, and thin films, and to offer another, more advanced directions in computational, experimental, and technological areas of nano- and bioscience towards engineering novel and powerful molecular self-organized assemblies with tailored properties.

Content:
Front Matter....Pages i-xiv
Recent Progress on Small Hydrogen Molecular Ions....Pages 1-10
FDTD Studies of Metallic Nanoparticle Systems....Pages 11-32
Exploring the Nitric Oxide Detoxification Mechanism of Mycobacterium tuberculosis Truncated Haemoglobin N....Pages 33-47
Complex Symmetry, Jordan Blocks and Microscopic Self-organization....Pages 49-87
Directed Transport of the Davydov Solitons by Unbiased a.c. Forces....Pages 89-102
Some Properties of Solitons....Pages 103-121
Spectral Effects of Resonance Dynamic Intermolecular Interaction for Crystalline Carboxylic Acids at Temperature Phase Transitions....Pages 123-133
Linear Augmented Cylindrical Wave Method for Electronic Structure of Isolated, Embedded, and Double-Walled Nanotubes....Pages 135-169
Anharmonicity and Soliton-Mediated Transport: Thermal Solitons, Solectrons and Electric Transport in Nonlinear Conducting Lattices....Pages 171-198
How Exponential Type Orbitals Recently Became a Viable Basis Set Choice in Molecular Electronic Structure Work and When to Use Them....Pages 199-219
Cation Hydrolysis Phenomenon in Aqueous Solution: Towards Understanding It by Computer Simulations....Pages 221-253
Davydov's Solitons in DNA....Pages 255-273
Potential Energy Surfaces for Reaction Catalyzed by Metalloenzymes from Quantum Chemical Computations....Pages 275-313
Gold in Hydrogen Bonding Motif—Fragments of Essay....Pages 315-334
Interatomic Potential for Platinum and Self-Diffusion on Pt(111) Surface by Molecular-Dynamics Simulation....Pages 335-344
Gap-Townes Solitons and Delocalizing Transitions of Multidimensional Bose–Einstein Condensates in Optical Lattices....Pages 345-357
Hydration Effects on Photophysical Properties of Collagen....Pages 359-383
Cluster Quantum Chemical Study of the Grignard Reagent Formation....Pages 385-397
Back Matter....Pages 399-400
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