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This book presents and discusses current research in the study of chemical modelling. Topics discussed include the periodic law and the Scerri's periodic table, the family resemblance view of quantum mechanics, the relationship between electronic sharing in bonding and electronegtivity equalisation of atoms in molecules, Gordy' atomic electronegatiity ansatz, amphoteric, amphihydric and ambisaline, from cyclic silylenes to allenic structures, ...

Quantum Theory and Observability Volume One. Volume 1 of the 5-volume Quantum Nanochemistry series 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, Schrdinger, Hartree-Fock, up to Feynman Path Integral approaches. The volume presents in a balanced manner the f...

Quantum Atoms and Periodicity Volume Two. 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 atoms perspective of quantum structures, spanning its diverse analytical predictions by historical and in-depth quantum analysi...

Quantum Molecules and Reactivity Volume Three. 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 Hckel to Density Functional expositions, especially in relation to how chemical principles of electronegativity and chemical hardness dec...

Quantum Solids and Orderability. 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 fea...

Quantum StructureActivity Relationships QuSAR Volume Five. 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 bindin...

Mihai V. Putz  Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum CondensateRoman F. Nalewajski  Information Theory Insights into Molecular Electronic Structure and ReactivityGeorge Maroulis         Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative Aspects and Perspectives.Sourav Pal Descriptors as Probes for Inter-Molecular Interactio...

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 inn...

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 re...

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 markovi...