The field of chemical reaction dynamics has made tremendous progress during the last decade or so. This is due largely to the development of many new, state-of-the-art experimental and theoretical techniques during that period. It is beneficial to present these advances, both theoretical and experimental, in a review volume (Parts I and II). The primary purpose of this review volume is to provide graduate students and experts in the field with a rather detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics.
The field of chemical reaction dynamics has made tremendous progress during the last decade or so. This is due largely to the development of many new,...
Few books cover experimental and theoretical methods to characterize decomposition, combustion and detonation of energetic materials. This volume, by internationally known and major contributors to the field, is unique because it summarizes the most important recent work, what we know with confidence, and what main areas remain to be investigated. Most chapters comprise summaries of work spanning decades and contain expert commentary available nowhere else. Although energetic materials are its focus, this book provides a guide to modern methods for investigations of condensed and gas-phase...
Few books cover experimental and theoretical methods to characterize decomposition, combustion and detonation of energetic materials. This volume, by ...
The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview...
The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about che...
As computing power increases, a growing number of macroscopic phenomena are modelled at the molecular level. Consequently, new requirements are generated for the understanding of molecular dynamics in exotic conditions. This book illustrates the importance of detailed chemical dynamics and the role it plays in the phenomenology of a number of extreme environments. Each chapter addresses one or more extreme environments, outlines the associated chemical mechanisms of relevance, and then covers the leading edge science that elucidates the chemical coupling. The chapters exhibit a balance...
As computing power increases, a growing number of macroscopic phenomena are modelled at the molecular level. Consequently, new requirements are genera...
The book reviews the advances of vibration-rotational spectroscopy of molecules, obtained by combining sophisticated computational methods of quantum chemistry with the techniques of high-resolution rotation and vibration-rotational spectroscopy.
The book reviews the advances of vibration-rotational spectroscopy of molecules, obtained by combining sophisticated computational methods of quantum ...
John Steward Bell made several important contributions to fields including accelerator physics, high energy physics and the philosophy of quantum mechanics and relativity. This book presents many of his publications including his most important achievements and others that are less well known.
John Steward Bell made several important contributions to fields including accelerator physics, high energy physics and the philosophy of quantum mech...
Presenting the conceptual and methodological basis of the charge sensitive analysis, this work covers: its foundation in density functional theory; alternative resolutions and representations; sensitivities of closed and open atomic and molecular systems; the maximum hardness principle; and more.
Presenting the conceptual and methodological basis of the charge sensitive analysis, this work covers: its foundation in density functional theory; al...