Covers the major experimental and theoretical methods currently used to study the energetics of stable molecules and reactive intermediates. Reviews the ate of the art and shows the interplay of experimental and theoretical methods used to probe bonding energetics and reactivity and a wide range of chemical species. A modern and invaluable introduction to the study of molecular energetics. A reference for workers currently involved in the field.
Covers the major experimental and theoretical methods currently used to study the energetics of stable molecules and reactive intermediates. Reviews t...
One of the main ways by which we can understand complex processes is to create computerised numerical simulation models of them. Modern simulation tools are not used only by experts, however, and reliability has therefore become an important issue, meaning that it is not sufficient for a simulation package merely to print out some numbers, claiming them to be the desired results. An estimate of the associated error is also needed. The errors may derive from many sources: errors in the model, errors in discretization, rounding errors, etc. Unfortunately, this situation does not obtain...
One of the main ways by which we can understand complex processes is to create computerised numerical simulation models of them. Modern simulation too...
The intricate interactions between transition metals and ligands are at the heart of a wide variety of chemical, physical and biological phenomena. Understanding these interactions provides a challenge of the first order, cutting across many fields of modern science and impinging on numerous areas of application. The fascinating behavior of these systems has attracted the attention of experimentalists and theorists alike. In this book are collected the main lectures of the NATO ASI on "Metal-Ligand Interactions in Chemistry, Physics and Biology" held in Cetraro, Italy, in September, 1998....
The intricate interactions between transition metals and ligands are at the heart of a wide variety of chemical, physical and biological phenomena. Un...
This volume is based on the lectures presented at the NATO Advanced Study Institute: (ASI) -Pollutants Formation from Combustion. Formation Mechanisms and Impact on th th Atmospheric Chemistry- held in Maratea, Italy, from 13 to 26 september 1998. Preservation of the environment is of increasing concern in individual countries but also at continental or world scales. The structure of a NATO ASI which involve lecturers and participants of different nationalities was thought as especially well suited to address environmental issues. As combustion is known to substantially contribute to the...
This volume is based on the lectures presented at the NATO Advanced Study Institute: (ASI) -Pollutants Formation from Combustion. Formation Mechanisms...
The theory of simple and complex fluids has made considerable recent progress, due to the emergence of new concepts and theoretical tools, and also to the availability of a large body of new experimental data on increas- ingly complex systems, as well as far-reaching methodological developments in numerical simulations. This AS aimed at providing a comprehensive overview of the most significant theoretical developments, supplemented by a few presentations of cutting-edge simulation and experimental work. The impact of the Institute in the overall landscape of Statistical Mechanics received...
The theory of simple and complex fluids has made considerable recent progress, due to the emergence of new concepts and theoretical tools, and also to...
The question of the existence of other worlds and other living beings has been present in the human quest for knowledge since as far as Epicurus. For centuries this question belonged to the fields of philosophy and theology. The theoretical problem of the formation of the Solar System, and hence of other planetary systems, was tackled only during the 18th century, while the first observational attempts for a detection started less than one hundred years ago. Direct observation of an extra-solar planetary system is an extraordinarily difficult problem: extra-solar planets are at huge...
The question of the existence of other worlds and other living beings has been present in the human quest for knowledge since as far as Epicurus. For ...
Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions in terms of molecular models. While simulations of liquid crystals are based on the same general Monte Carlo and molecular dynamics techniques as are used for other fluids, they present a number of specific problems and peculiarities connected to the intrinsic properties of these mesophases. The field of computer simulations of anisotropic fluids is interdisciplinary and is evolving very rapidly. The present volume covers a variety of...
Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions ...