Nova Science Publishers, 2011, 673 pages
This volume gives larger and deeper coverage of the electronic matters through the physical, chemical and biological ordered systems. With their increasing complexity,the matter structure from the physical to chemical to biological manifestations in an inter-disciplinary cross-fertilization manner is gradually introduced. The book presents and reviews the avant-garde contributions for the XXI century with equilibrated contents provided by important scientists worldwide demonstrating a valuable impact on quantum fundamentals and applications. In fact, the present volume attempts to serve the unification of the physical-chemical-biological manifestation of atoms in molecules and in nanostructures by means of expanding the quantum frontiers by conjunction, either with relativity, topological information or graph theories as well.
The book successfully balances among the physical, chemical and biological sides of the quantum theory and of its applications emphasizing both conceptual and computational sides while experiment is addressed only for reference; in this regard the book is more focused on why rather than how quantum effects are produced with the inner belief that this way the second issue is self-contained in the first one. The book is addressed to a large audience as well as to advanced research wisely combining the epistemological, heuristic and philosophic aspects of quantum manifestation of matter in atoms, molecules and of their combination in complex nano- and bio- structures. On the other hand, the book likes to show how far the quantum theory fuishes the background and the framework in which the simple as well as most complex electronic structures may unfold and evolve in an interacting environment.
Fulfilling Dirac’s Promise on Quantum Chemical Bond
Duality within the Structure of Complementarity: Right Where It Has No Place to Be
Complementarity Out of Context: Essay on the Rationality of Bohr’s Thought
Molecular Integrals over Slater-Type Orbitals. From Pioneers to Recent Developments
Tunneling Dynamics and Its Signatures in Coupled Systems
Theoretical Calculation of the Low Laying Electronic States of the Molecular Ion CsH+ with Spin-Orbit Effects
Theoretical Explanation of Light Amplifying by Polyethylene Foil
Anharmonic Effects in Normal Mode Vibrations: Their Role in Biological Systems
Emergent Properties in Bohmian Chemistry
The Algebraic Chemistry of Molecules and Reactions
Quantum and Electrodynamic Versatility of Electronegativity and Chemical Hardness
Physics and Chemistry of Carbon in the Light of Shell-Nodal Atomic Model
Molecular Modeling of the Peanut Lectin - Carbohydrate Interaction by Means of the Hybrid QM/MM Method
Electron Density Distributions of Heterocycles: A Shortcoming of the Resonance Model
Electromerism in Small Molecule Activation by Metal Centers of Biological Relevance
Structural Modelling of Nano-Carbons and Composites
Nanostructure Design—between Science and Art
Quantifying Structural Complexity of Graphs: Information Measures in Mathematical Chemistry
Topological Indices of Nanostructures
On Uniform Representation of Proteins by Distance Matrix
Timisoara Spectral – Structure Activity Relationship (Spectral-SAR) Algorithm: From Statistical and Algebraic Fundamentals to Quantum Consequences
On Plots in QSAR/QSPR Methodologies
Application of the Fuzzy Logic Theory to QSPR-QSAR Studies
Modeling the Toxicity of Alcohols. Topological Indices versus Van Der Waals Molecular Descriptors
This volume gives larger and deeper coverage of the electronic matters through the physical, chemical and biological ordered systems. With their increasing complexity,the matter structure from the physical to chemical to biological manifestations in an inter-disciplinary cross-fertilization manner is gradually introduced. The book presents and reviews the avant-garde contributions for the XXI century with equilibrated contents provided by important scientists worldwide demonstrating a valuable impact on quantum fundamentals and applications. In fact, the present volume attempts to serve the unification of the physical-chemical-biological manifestation of atoms in molecules and in nanostructures by means of expanding the quantum frontiers by conjunction, either with relativity, topological information or graph theories as well.
The book successfully balances among the physical, chemical and biological sides of the quantum theory and of its applications emphasizing both conceptual and computational sides while experiment is addressed only for reference; in this regard the book is more focused on why rather than how quantum effects are produced with the inner belief that this way the second issue is self-contained in the first one. The book is addressed to a large audience as well as to advanced research wisely combining the epistemological, heuristic and philosophic aspects of quantum manifestation of matter in atoms, molecules and of their combination in complex nano- and bio- structures. On the other hand, the book likes to show how far the quantum theory fuishes the background and the framework in which the simple as well as most complex electronic structures may unfold and evolve in an interacting environment.
Fulfilling Dirac’s Promise on Quantum Chemical Bond
Duality within the Structure of Complementarity: Right Where It Has No Place to Be
Complementarity Out of Context: Essay on the Rationality of Bohr’s Thought
Molecular Integrals over Slater-Type Orbitals. From Pioneers to Recent Developments
Tunneling Dynamics and Its Signatures in Coupled Systems
Theoretical Calculation of the Low Laying Electronic States of the Molecular Ion CsH+ with Spin-Orbit Effects
Theoretical Explanation of Light Amplifying by Polyethylene Foil
Anharmonic Effects in Normal Mode Vibrations: Their Role in Biological Systems
Emergent Properties in Bohmian Chemistry
The Algebraic Chemistry of Molecules and Reactions
Quantum and Electrodynamic Versatility of Electronegativity and Chemical Hardness
Physics and Chemistry of Carbon in the Light of Shell-Nodal Atomic Model
Molecular Modeling of the Peanut Lectin - Carbohydrate Interaction by Means of the Hybrid QM/MM Method
Electron Density Distributions of Heterocycles: A Shortcoming of the Resonance Model
Electromerism in Small Molecule Activation by Metal Centers of Biological Relevance
Structural Modelling of Nano-Carbons and Composites
Nanostructure Design—between Science and Art
Quantifying Structural Complexity of Graphs: Information Measures in Mathematical Chemistry
Topological Indices of Nanostructures
On Uniform Representation of Proteins by Distance Matrix
Timisoara Spectral – Structure Activity Relationship (Spectral-SAR) Algorithm: From Statistical and Algebraic Fundamentals to Quantum Consequences
On Plots in QSAR/QSPR Methodologies
Application of the Fuzzy Logic Theory to QSPR-QSAR Studies
Modeling the Toxicity of Alcohols. Topological Indices versus Van Der Waals Molecular Descriptors