The aim of these notes is to offer a modern picture of the pertur­ bative approach to the calculation of intermolecular forces. The point of view taken is that a perturbative series truncated at a low order can provide a valuable way for ~valuating interaction energies, especial­ ly if one limits oneself to the case of intermediate- and long-range distances between the interacting partners.  Meer

The linear Schrödinger 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.  Meer

Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). The authors critically analyze chemically and mathematically suitable reaction path definitions.  Meer

The studyofthehealingpowerofchemicalcompounds, present into the known natural active principles and its subsequent use, shall be seen initially as a pseudoscientificprocedure,acontinuationoftheChineseandArabianoccultism, whichwasbased inthepercentagecontentoffire,air,earthandwater,aswellas ontheassociatedqualities:hot-cold,humid-dry.  Meer

“Applied Cross-Coupling Reactions” provides students and teachers of advanced organic chemistry with an overview of the history, mechanisms and applications of cross-coupling reactions.  Meer

Most of the properties of a metal-electrolyte interface, even the spe­ cific nature of an electrode reaction, proneness of a metal to cor­ rosion, etc.  Meer

The bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which "resonance theory" is based and this fact can be projected by a comparison of the various ways in which MOVB theory depicts a species made up of three core and two ligand MO's which define two subsystems containing a total of six electrons and the ways in which "resonance theory" (i.  Meer

These notes on the use of one particular form of the time-dependent rate constant to describe the reaction patterns in condensed media have been put together primarily to encourage chemists to try and accept this new way of experimental data treatment.  Meer

Conservation Science is a rather innovative application of instrumental analysis with steadily increasing importance. Although the first attempts for preserving material from the cultural heritage on a scientific basis are found in the 19th century pioneer chemistry years, only the use of sophisticated physicochemical techniques results in effective identification and deterioration studies of monuments and objects, and in reliable intervention procedures.  Meer

The aim of this chapter is to discuss in detail the Monte Carlo algorithms developed to compute the sequence distributions in polymers. Because stereoregular polymers constitute a unique form of copolymer, the stereosequence distributions in vinyl homopolymers and the sequence distributions in copolymers can be computed using the same algorithms.  Meer

The aIm of the present article is to give a critical exposition of the theory of the symmetry properties of rigid and nonrigid molecules. Despite the fact that several accounts of the subject, both technical and didactic, are now available, and despite the extensive discussion of nonrigid molecule symmetry that has been going on since the classic papers of Hougen and Longuet-Higgins, there remains a need for a unifying survey of the problem.  Meer

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.  Meer

In the last fifty years. computational chemistry has made impressive strides. Huckel NO computations were rapidly succeeded by semiempirical monodeterminantal Self Consistent Field (SCF) MO calculations which now give way to high quality ab initio calculations of the poly-determinantal SCF-MO and Generalized VB variety.  Meer

This treatment of molecular and atomic physics is primarily meant as a textbook. It is intended for both chemists and physicists. ·It can be read without much knowledge of quantum mechanics or mathematics, since all such details are explained-.  Meer

Fractals play an important role in modeling natural phenomena and engineering processes. And fractals have a close connection to the concepts of chaotic dynamics.  Meer

This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure – it is a prerequisite for determining and understanding most other important properties of molecules.  Meer

In this concise book, the author presents the essentials every chemist needs to know about how to obtain reliable measurement results. Starting with the basics of metrology and the metrological infrastructure, all relevant topics – such as traceability, calibration, chemical reference materials, validation and uncertainty – are covered.  Meer

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.  Meer