Progress in Quantum Chemistry Research de Erik O. Hoffman

Progress in Quantum Chemistry Research

Erik O. Hoffman

This book presents new and important research from around the world in quantum chemistry which is a branch of theoretical chemistry. Quantum chemistry applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behaviour of atoms and molecules as pertaining to their reactivity is one of the applications of quantum chemistry. Quantum chemistry lies on the border between chemistry and physics, and significant contributions have been made by scientists from both fields. It has a strong and active overlap with the field of atomic physics and molecular physics, as well as physical chemistry.

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Cuprins

Preface; Exploring Basic Chemical Concepts with the Quantum Theory of Atoms in Molecules; Unifying Absolute and Chemical Electronegativity and Hardness Density Functional Formulations through the Chemical Action Concept; Review of Multi-component Molecular Orbital Theory; The Theoretical Calculation with Spin Orbit Effect of the Electronic States of the Ion LiRb; Quantum Chemical, Spectroscopic and Structural Study of Hydrochlorides, Hydrogensquarates and Ester Amides of Squaric Acid of Amino Acid Amides; Cluster Models for Calculations of Electronic Structure of Crystallites; Moments and Finite Matrix Methods for Calculating Ground-state Energies; A Unifying Approach to Chirality: From Micro- to Macroscopic Structures; Comparative Study of Statistics of Cooper's Electron Pairs in Low-temperature Superconductors and Coupled Holes Pairs in High Tc Ceramics; Quantum Chemistry and Nuclear Resonance Spectroscopy Data in Natural and Synthetic Nanotechnological Materials with Nd-metal Atoms Participations; Index.