This book offers a broad discussion of the concepts required to understand the thermodynamic stability of molecules and bonds and a description of the most important condensed-phase techniques that have been used to obtain that information. Above all, this book attempts to provide useful guidelines on how to choose the "best" data and how to use it to understand chemistry. Although the book assumes some basic knowledge on physical-chemistry, it has been written in a "textbook" style and most topics are addressed in a way that is accessible to advanced undergraduate students. Many examples are given throughout the text, involving a variety of molecules. This text will provide a good starting point for those who wish to initiate in the field or simply to understand how to assess, to estimate, and to use thermochemical data. It will therefore appeal to a broad range of practicing chemists and particularly to those interested in energetics-structure-reactivity relationships.

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.

This novel, interdisciplinary text presents biological understanding in terms of general underlying principles, treating energy as the overarching theme and emphasizing the all-pervading influence of energy transformation in every process, both living and non-living. Key processes and concepts are explained in turn, culminating in a description of the overall functioning and regulation of a living cell. The book rounds off the story of life with a brief account of the endosymbiotic origins of eukaryotic cells, the development of multicellularity, and the emergence of modern plants and animals. Multidisciplinary research in science is becoming commonplace. However, as traditional boundaries start to break down, researchers are increasingly aware of the deficiencies in their knowledge of related disciplines. Introducing Biological Energetics redresses the reciprocal imbalance in the knowledge levels of physical and biological scientists in particular. Its style of presentation and depth of treatment has been carefully designed to unite these two readerships.

The purpose of this book is to lay the groundwork for the analysis and the design of processes with a view to energetic efficiency. Energetics is used in the original sense of the engineer W. J. M. Rankine (Proc. Roy. Philosoph. Soc. of Glasgow III, 381 [1955]) and the physical chemist J. N. Br\3nsted (Principles and Problems in Energetics, Interscience, New York, 1955), i.e., the macroscopic description of the flows of different forms of energy, and the general laws governing the mutual transforma tions of these flows. The prerequisite for the use of the book is a conventional course in equilibrium thermodynamics as usually taken in the junior (third) col lege year. The author believes that while knowledge about equilibria is essential, most engineers and many scientists are mostly interested in systems in which equilibrium has not yet been reached. In such systems, flow phenomena such as heat, mass and electricity transfer, as well as chemical reactions, can take place, and it is important to know the driv ing forces and laws governing the interactions of these flows.

This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena. Among the new topics are: - Time-dependent density functional theory - Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces - Current flows through a single molecule. While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.

On March 26-27, 1980, a symposium organized by one of us (P. P. ) was held at the l79th American Chemical Society National ~1eeting in Houston, Texas, under the sponsorship of the Theoretical Chemistry Subdivision of the Division of Physical Chemistry. The symposium was entitled "The Role of the Electrostatic Potential in Chemistry," and it served as a stimulus for this book. The original scope and coverage have been broadened, however; included here, in addition to contributions from the eleven invited symposium speakers and two of the poster-session participants, are four papers that were specially invited for this book. Furthermore, several authors have taken this opportunity to present at least partial reviews of the areas being discussed. Most of the manuscripts were completed in the late spring and early summer of 1980. We hope that this book will achieve two goals: First, we are trying to provide an overall picture, including recent advances, of current chemical research, both fundamental and applied, involving the electrostatic potential. Second, we want to convey an appreci ation of both the powers and also the limitations of the electro static potential approach. In order to achieve these goals, we have selected contributors whose research areas provide a very broad coverage of the field. Throughout the book, we have used a. u.

This title provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds.