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Quantum Theory: Density, Condensation, and Bonding presents in a unitary manner the main actual theories of matter, mainly the density function theory (DFT) for fermions, the Bose-Einstein condensation (BEC) for bosons, and chemical bonding as a special realization of the first two so-called mixed fermionic-bosonic states. The book covers the modern and ultimately developed quantum theories involving the key concepts of density, condensation, ...

The need for economically feasible and multifunctional materials becomes more acute as the natural physical and chemical resources reveal either their limits or reveal the difficulties and increasing costs in storage, transport, and conversion. This reference presents the work from contributors from various fields, of various ages and from diffe

QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information-knowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio-, eco-, and pharmacologic levels through unitary formulation of the effector-receptor binding degree potential, including the logistic type by employing a comp...

This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles and techniques that are important in property design. Themes covered include conceptual and applied wave functions and density functional theo...

Explains and explores the important concepts in the nanosciences. It contains 50 concise yet comprehensive entries, organized alphabetically, ranging from algebraic chemistry to new energy technology, from the bondonic theory of chemistry to spintronics, and from fractal dimension and kinetics to quantum dots and tight binding¿and much more.

Dennis R. Salahub et al.          Recent Progress in Density Functional Methodology for Biomolecular ModelingEugene Serge Kryachko          Density Functional Theory and Molecular Interactions: Dispersion InteractionsRadu Silaghi-Dumitrescu        Redox Activation of Small Molecules at Biological Metal CentersMauro Causà et al.     The Bond Analysis Techniques (ELF and Maximum Probability Domains) to a Family of Models Relevant to Bio-Inorgani...

Presents in a unitary manner the main actual theories of matter, mainly the density function theory (DFT) for fermions, the Bose-Einstein condensation (BEC) for bosons, and chemical bonding as a special realization of the first two so-called mixed fermionic-bosonic states.

In todays modern economy, and in strategic management more precisely, which is often driven by scientific and technological research-development and innovations, the best position in a market is held by the so called advantage - competitive, sustainable, or perennial! Competitive associates are in the so called red oceans where firms, products, and organisations offer and compete for the same customer segment. Perennial advantage associates, i...

This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles and techniques that are important in property design. Themes covered include conceptual and applied wave functions and density functional theo...

This book carefully addresses the general key concepts in this field and expands to more complex discussions on the most recent advancements and techniques related to quantum dynamics within the confines of physical chemistry"--

Carbon Bonding and Structures: Advances in Physics and Chemistry handles the quantification, indexing, and interpretation of the physical and chemical behaviour of carbon in molecules, crystals, and nanosystems. This multi-author volume features cutting edge research and focuses on both inorganic and organic areas of carbon combinations and states modelled from quantum, physical, computational, mathematical, and topological perspectives.The vo...

Carbon Bonding and Structures: Advances in Physics and Chemistry handles the quantification, indexing, and interpretation of the physical and chemical behaviour of carbon in molecules, crystals, and nanosystems. This multi-author volume features cutting edge research and focuses on both inorganic and organic areas of carbon combinations and states modelled from quantum, physical, computational, mathematical, and topological perspectives.The vo...

This book contains world-class chapters in the fields of: Structural Physical Chemistry: Treating the Bose-Einstein condensate at the chemical interacting level of Kohn-Sham systems, modern inequality regarding pi-electronic energy, periodicity or diatomics, modelling the atomic structure in geometrical superior dimensional space, algebraic chemistry of reactivity, chemical reactivity within conceptual density functional theory (DFT), Structur...

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 che...

This book presents and discusses current research in the study of chemical modelling. Topics discussed include chemical action and the transition state reactivity, algebraic chemistry of catalysis, solid-state polymerisation kinetics, fractal features of proteins structure and dynamics, modelling on methanol clusters, chemical hardness assessment of aromaticity for certain organic compounds, dependence of thermodynamic characteristics on spati...

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-fertilisation manner is gradually introduced. The book presents and reviews the avant-garde contributions for the XXI century with equilibrated contents provided by imp...

While many fields of our current life and technology make use of the involvement of chemistry, even in a subtle way as quantum-, mathematical-, physical-, nano-, bio-, or eco-, and chemical disciplines, the chemistry itself drives almost all nature cycles through the atomic and molecular structure and reactivity universal principles. This book presents an interdisciplinary-internationally picture of chemical information embedded in various mic...

This book brings together the theoretical, mathematical, quantum and computational methodologies of approaching structural, bonding and reactivity characterisations of the chemical systems.

Systematic formulations of absolute and chemical electronegativity and hardness are analysed among the local and non-local electronic density contributions in the frame of density functional theory. It is analytically proved that in all proposed cases can be founded the proper conditions within the absolute and chemical formulations to equalise. There appears that a new variational concept and term named as chemical action plays the unifying r...

In the 1970s, when something like chemical graph theory and molecular topology arose, the quantum chemical community began to criticise it, mainly with the argument that it reduced chemistry to mathematics, to empty meaningless numbers, to non-physical interpretable indices, to a combinatory without synthesis counterpart, to an algebra (matrices and polynomials) exercise, moreover, since the kenographs were mainly the objects of the chemical g...