The present monograph is a continuation of Cyvin SJ, Brunvoll J and Cyvin (1991c), a reference to be found in Bibliography. Naturally, the previous volume is cited frequently here. For the sake of brevity, it is referred to as "Volume I". References to different chapters, sections or paragraphs are given like Vol. 1-1, 1-1.2 or 1-1.2.2, respectively. Also tables and equations in "Volume I" are cited; the very last equation therein, for instance, is Vol. I-{9.9). The present text spans from references to organic syntheses or attempted organic syntheses - - to stringent mathematical theorems...
The present monograph is a continuation of Cyvin SJ, Brunvoll J and Cyvin (1991c), a reference to be found in Bibliography. Naturally, the previous vo...
Chemical bonds, their intrinsic energies in ground-state molecules and the energies required for their actual cleavage are the subject of this book. The theory, modelled after a description of valence electrons in isolated atoms, explains how intrinsic bond energies depend on the amount of electronic charge carried by the bond-forming atoms. It also explains how bond dissociation depends on these charges. While this theory vividly explains thermochemical stability, future research could benefit from a better understanding of bond dissociation: if we learn how the environment of a molecule...
Chemical bonds, their intrinsic energies in ground-state molecules and the energies required for their actual cleavage are the subject of this book. T...
Analytical chemistry of the recent years is strongly influenced by automation. Data acquisition from analytica instruments - and some- times also controlling of instruments - by a computer are principally solved since many years. Availability of microcomputers made these tasks also feasible from the economic point of view. Besides these basic applications of computers in chemical measurements scientists developed computer programs for solving more sophisticated problems for which some kind of "intelligence" is usually supposed to be necessary. Harm- less numerical experiments on this topic...
Analytical chemistry of the recent years is strongly influenced by automation. Data acquisition from analytica instruments - and some- times also cont...
Relativistic effects are of major importance for understanding the properties of heavier atoms and molecules. Volumes I-III of Relativistic Theory of Atoms and Molecules constitute the only available bibliography on related calculations. In Volume III, 3792 new references covering 1993-1999 are added to the database. The material is characterized by an analysis of the respective papers. The volume gives the user a comprehensive bibliography on relativistic atomic and molecular calculations, including studies on the Dirac equation and related solid-state work.
Relativistic effects are of major importance for understanding the properties of heavier atoms and molecules. Volumes I-III of Relativistic Theory ...
Andre Julg has published several papers concerning the continuity of classical physics and quantum mechanics. He provides a provocative conclusion in this book: the quantum formalism can be effectively interpreted within the framework of classical physics, provided some minor rearrangements are accepted.
Andre Julg has published several papers concerning the continuity of classical physics and quantum mechanics. He provides a provocative conclusion in ...
The linear Schrodinger equation is central to Quantum Chemistry. It is presented within the context of relativistic Quantum Mechanics and analysed both in time-dependent and time-independent forms. The Riccati equation is used to study the one-dimensional Schrodinger equation. The authors develop the Schrodinger-Riccati equation as an approach to determine solutions of the time-independent, linear Schrodinger equation.
The linear Schrodinger equation is central to Quantum Chemistry. It is presented within the context of relativistic Quantum Mechanics and analysed bot...
This book fills a gap in knowledge between chemistry- and physics-trained researchers about the properties of macroscopic (bulk) material. Although many good textbooks are available on solid-state (or condensed matter) physics, they generally treat simple systems such as simple metals and crystals consisting of atoms. On the other hand, textbooks on solid-state chemistry often avoid descriptions of theoretical background even at the simplest level. This book gives coherent descriptions from intermolecular interaction up to properties of condensed matter ranging from isotropic liquids to...
This book fills a gap in knowledge between chemistry- and physics-trained researchers about the properties of macroscopic (bulk) material. Although...
This book addresses the nature of the chemical bond in inorganic and coordination compounds. In particular, it explains how general symmetry rules can describe chemical bond of simple inorganic molecules. Since the complexity of studying even simple molecules requires approximate methods, this book introduces a quantum mechanical treatment taking into account the geometric peculiarities of the chemical compound. In the case of inorganic molecules, a convenient approximation comes from symmetry, which constrains both the electronic energies and the chemical bonds. The book also gives...
This book addresses the nature of the chemical bond in inorganic and coordination compounds. In particular, it explains how general symmetry rules ...
This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This...
This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a ge...
This book introduces the fundamentals, instruments, methodology, and applications of surface plasmon resonance imaging (SPRi) and related techniques. It provides an overview of SPRi development and an easy-to-understand interpretation of theory and operation principles. Some unique ideas proposed by the authors to design and set up SPRi devices and methods are disclosed for the first time. Crucial manipulation experiences are also summarized here, including chip surface functionalization, sensitivity enhancement and coupling of SPRi with other analytical techniques. The application of SPRi...
This book introduces the fundamentals, instruments, methodology, and applications of surface plasmon resonance imaging (SPRi) and related technique...
