Conical Intersections: Electronic Structure, Dynamics & Spectroscopy

Conical Intersections: Electronic Structure, Dynamics & Spectroscopy
Author: Wolfgang Domcke
Publisher: World Scientific
Total Pages: 857
Release: 2004-07-14
Genre: Science
ISBN: 9814483753

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It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemical reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections in the fields of molecular spectroscopy and laser control of chemical reaction dynamics.This book has been selected for coverage in:• CC / Physical, Chemical & Earth Sciences• Chemistry Citation Index(tm)• Index to Scientific Book Contents® (ISBC)

Chemical Physics of Molecular Condensed Matter

Chemical Physics of Molecular Condensed Matter
Author: Kazuya Saito
Publisher: Springer Nature
Total Pages: 228
Release: 2020-10-09
Genre: Science
ISBN: 9811590230

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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 molecular crystals. By omitting details of specific systems for which comprehensive monographs are available—on liquid crystals and molecular conductors, for instance—this book highlights the effects of molecular properties, i.e., the presence of the shape and its deformation on the structure and properties of molecular systems.

Chemical Physics and Quantum Chemistry

Chemical Physics and Quantum Chemistry
Author:
Publisher: Academic Press
Total Pages: 350
Release: 2020-09-18
Genre: Science
ISBN: 0128197587

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Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry

The Chemical Physics of Food

The Chemical Physics of Food
Author: Peter Belton
Publisher: John Wiley & Sons
Total Pages: 264
Release: 2008-04-15
Genre: Technology & Engineering
ISBN: 1405181524

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This important book covers the main types of materials that foodscientists have to deal with. Special attention is given to starchand gluten as being of particular importance in food science andnot typical of general classes of substance. The book approachesthe subject matter form a physics viewpoint. Based on the fundamental quantitative principles, which must formthe basis for any discussion, qualitative or quantitative, aboutthe behaviour of the systems involved, the book thus differs fromothers currently available. The editor, Peter Belton, currentlyPresident of the Institute of Food Science and Technology has drawntogether an impressive list of international contributors,providing a book which is essential to all those involved in workon the structure of foods

Computer Simulation in Chemical Physics

Computer Simulation in Chemical Physics
Author: M.P. Allen
Publisher: Springer Science & Business Media
Total Pages: 522
Release: 2012-12-06
Genre: Science
ISBN: 9401116792

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Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software. All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings.

Fundamental Aspects of Plasma Chemical Physics

Fundamental Aspects of Plasma Chemical Physics
Author: Mario Capitelli
Publisher: Springer Science & Business Media
Total Pages: 330
Release: 2015-11-26
Genre: Science
ISBN: 1441981853

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Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the book will assess fundamental concepts and theoretical formulations, based on a unified methodological approach, and explore the insight in related scientific problems still opened for the research community.

The Chemical Physics of Surfaces

The Chemical Physics of Surfaces
Author: S. Roy Morrison
Publisher:
Total Pages: 460
Release: 2014-01-15
Genre:
ISBN: 9781489924995

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The Journal of chemical physics

The Journal of chemical physics
Author: John Willard Stout
Publisher:
Total Pages: 1709
Release: 1990
Genre: Journal of chemical physics
ISBN:

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