M. Putz – Quantum Nanochemistry (5 Volume set, 2016)

Автор: M. Putz
Название книги: Quantum Nanochemistry (5 Volume set)
Формат: PDF
Жанр: Химия
Страницы: 3023
Качество: Изначально компьютерное, E-book

This new 5-volume set presents in a balanced yet progressive manner the fundamental and advanced concepts, principles, and models of quanta, atoms, molecules, solids, and crystal and chemical-biological interaction in cells. It also addresses the first and novel combinations and applications in modeling complex natural or designed phenomena. These new volumes by Dr. Putz embrace the best knowledge at the dawn of the twenty-first century of chemical bonding approaches while further advancing the chemical bonding approaches through the author’s own progressive vision, which highlights the concept of bosonic-bondon in artificial chemistry.

The author approaches the systematics of atoms-in-molecule progressive modeling, in relation to chemical reactivity indices that are rooted in the electronegativity and chemical hardness prime chemical descriptors, with a refreshing and fruitful perspective. He considers the influence of chemical bonding and extends that to chemical-biological interaction in cells and organisms toward recording the biological activity. He covers the relevant connections with chemistry and atomic/molecular structures for the constituent particles/nodes in crystals and solids, including the hot topic of the propagation of defects on graphenes. The work is rigorously, thoughtfully, and analytically presented, with a flexible, instructive, and creative physical-chemical style of presentation and should be well understood by both physical and chemical communities in the nanosciences fields. These volumes will help to stimulate the creative power of the reader interested not just in knowing and understanding nature through the eyes of quantum theory but also in using the necessary know-how to predict and drive the quantum information, coined the nano-scale systems.

The multi-volume book uniquely features:

A multi-level unitary approach (atoms, molecules, solids, and chemical-biological interaction in an interrelated conceptual and applicative presentation)
Fresh quantum views and models of atomic stability and molecular reactivity
A new theory of chemical bonding by bosonic-bondons
The first path integral applications in quantum chemistry
The first bondonic analysis for the graphenic topological defects

1. Volume 1 of the 5-volume Quantum Nanochemistry set presents an overall perspective of nuclear, atomic, molecular, and solids structures, and the observability and quantum properties as based on the quantum principles in their various levels of applications, from Planck, Bohr, Einstein, Schrödinger, Hartree-Fock, up to Feynman Path Integral approaches. The volume presents in a balanced manner the fundamental and advanced concepts, principles, and models as well as their first and novel combinations and applications in modeling complex natural or designed phenomena.

2. Volume 2 of the 5-volume Quantum Nanochemistry presents in a balanced manner the fundamental and advanced concepts, principles, and models as well as their first and novel combinations and applications in quantum (physical) and chemical theory of atomic structure. It exposes the atom’s perspective of quantum structures, spanning its diverse analytical predictions by historical and in-depth quantum analysis of the atomic periodicities of the atomic radii, ionization potential, electron affinity, electronegativity, and chemical hardness, along with the recently consecrated electrophilicity and chemical action―as the main global reactivity indices are assessed when next judging the chemical reactivity through their associate principles.
From the Contents
Historical Highlights on the Periodicity of the Chemical Elements
Quantum Assessment for Atomic Stability
Periodicity by Quantum Propagators in Physical Atom
Periodicity by Peripheral Electrons and Density in Chemical Atom
Quantum Algebraic and Stochastic Dynamics for Atomic Systems

3. Volume 3 of the 5-volume Quantum Nanochemistry presents the chemical reactivity throughout the molecular structure in general and chemical bonding in particular by introducing the bondons as the quantum bosonic particles of the chemical field, localization, from Hückel to Density Functional expositions, especially in relation to how chemical principles of electronegativity and chemical hardness decide the global chemical reactivity and interaction. The volume presents the fundamental and advanced concepts, principles, and models as well as their first and novel combinations and applications in quantum (physical) chemical theory of bonding, molecular reactivity, and aromaticity.

4. Volume 4 of the 5-volume Quantum Nanochemistry covers quantum (physical) chemical theory of solids and orderability and addresses the electronic order problems in the solid state viewed as a huge molecule in special quantum states, including also the bondonic treatment of the graphene nano-ribbons, along basic crystallographic principles, from geometrical-, to chemical- to physical- (x-ray) crystallography with featured examples, and energetic correlating symmetry discussion on orderability in nanochemical compounds.

5. Volume 5 of the 5-volume Quantum Nanochemistry focuses on modeling and predicting of the enzyme kinetics and quantitative structure-activity relationships. It reveals the quantum implications to bio-organic and bio-inorganic systems, to enzyme kinetics, and to pharmacophore binding sites of chemical-biological interaction of molecules through cell membranes in targeting specific bindings modeled by celebrated QSARs (Quantitative Structure-Activity Relationships) here reshaped as Qu-SAR (Quantum Structure-Activity Relationships).
Contents
Logistic Enzyme Kinetics
Statistical Space for Multivariate Correlations
Chemical Orthogonal Spaces for Structure–Activity Relationship (COS-SAR)