In the limits of the density functional theory there are introduced and deduced fundamental chemical descriptors as the chemical action concept, the chemical field, new electronegativity, rate reaction and chemical hardness formulations, the reduced total energy and the partial Hohenberg-Kohn functionals. For electronic density computations the quantum statistic picture of the path integral Feynman-Kleinert formalism is employed to its markovian approximation, providing the framework in which the majority of the chemical reactions and the reactivity of the electronic systems can be treated...
In the limits of the density functional theory there are introduced and deduced fundamental chemical descriptors as the chemical action concept, the c...
"Carbon Bonding and Structures: Advances in Physics and Chemistry" features detailed reviews which describe the latest advances in the modeling and characterization of fundamental carbon based materials and recently designed carbon composites. Significant advances are reported and reviewed by globally recognized experts in the field. The quantification, indexing, and interpretation of physical and chemical patterns of carbon atoms in molecules, crystals, and nanosystems is presented. "Carbon Bonding and Structures: Advances in Physics and Chemistry" will be primarily of interest to...
"Carbon Bonding and Structures: Advances in Physics and Chemistry" features detailed reviews which describe the latest advances in the modeling and ch...
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 computational algebraic quantitative structure-activity relationship (QSAR) model called SPECTRAL-SAR. It aims to minimize the residual...
QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-infor...
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.
Presents in a unitary manner the main actual theories of matter, mainly the density function theory (DFT) for fermions, the Bose-Einstein 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 different countries, creating a valuable collection of research that will advance the fundamental and innovative techniques of nanosystems and their interactions. The authors cover self-assembly, self-regenerating, storage, and directional properties of...
The need for economically feasible and multifunctional materials becomes more acute as the natural physical and chemical resources reveal either th...
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the...
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the seri...
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the...
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the seri...
With the emergence of nanoscience and technology in the 21st century, research has shifted its focus on the quantum and optical dynamical properties of matter such as atoms, molecules, and solids which are properly characterised in their dynamic state.
Quantum and Optical Dynamics of Matter for Nanotechnology 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. This book is an essential reference for academics,...
With the emergence of nanoscience and technology in the 21st century, research has shifted its focus on the quantum and optical dynamical properties o...
This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms).
Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-time structure-evolution, phase transitions, chemical reactivity, and topology.
Exotic Properties of Carbon Nanomatter is aimed at researchers in academia and industry.
This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocom...
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...
This new 5-volume set presents in a balanced yet progressive manner the fundamental and advanced concepts, principles, and models of quanta, atoms,...
