Physical chemistry

The contributions collected in this volume complement volume 1 of this series, disclosing results of current developments in methodologies and applications of computational chemistry methods.

The quantum Monte Carlo (QMC) method is gaining interest as a complement to basis set ab initio methods in cases where high accuracy computation of atomic and molecular properties is desired.

Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for the correlation problem in molecules.

The cluster which is an ensemble of two thousands of atoms or molecules, has emerged as a completely new class of materials at the frontier of materials science.

The study of the effect of ligand and modifier ions on the spectroscopic properties of dn or fn elements in vitreous materials is important for the development of controllable lasers and amplifiers.

This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems.

Volume 3 of Computational Chemistry: Reviews of Current Trends adds well to the first two volumes of the series, presenting results of current developments in the methodologies and the applications of computational chemistry methods.

Recently, accurate ab initio quantum computational chemistry has evolved dramatically.

In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc.

This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems.

In view of the rapid growth in both experimental and theoretical studies of multiphoton processes and multiphoton spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc.

Metal oxides constitute one of the most amazing classes of materials with a wide range of properties.

The aim of this book is to acquaint the reader with what the author regards as the most basic characteristics of quasicrystals - structure, formation and stability, properties - in relationship with the applications of quasicrystalline materials.

This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry.

Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development.

As computing power increases, a growing number of macroscopic phenomena are modeled at the molecular level.

The Third International Conference on Isotopes focused on the theme of "e;Isotope Production and Applications in the 21st Century"e; and included presentations by several eminent experts in this field.

This book presents the latest research on adsorption science and technology.

Photoinduced charge transfer constitutes the scientific basis of photography, electrophotography and many biological processes.

This book constitutes a comprehensive survey of the balance equations for mass, momentum and energy for the interfaces in pure fluids and mixtures.

This book provides a fundamental physical picture of various phenomena occurring in organic monolayers, dealing with dielectric, elastic, and electronic properties.

In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc.

In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc.

Like inanimate matter, biological matter is condensed, though it may be more complex.

This book contains important contributions from top international scientists on the-state-of-the-art of femtochemistry and femtobiology at the beginning of the new millennium.

This invaluable book consists of 16 chapters written by some of the most notable researchers in the field of quantum Monte Carlo, highlighting the advances made since Lester Jr.

Solid state chemistry is a multidisciplinary field that deals with the synthesis, structural characterization and properties of various solids, and it has been playing a more and more important role in the design and preparation of advanced materials.

This book provides a comprehensive description of the principles and applications of positron and positronium chemistry.

This book provides a detailed and rigorous presentation of the spectroscopy and dynamics of orientationally structured adsorbates.

This volume presents a comprehensive collection of state-of-the-art advances in the field of solid state ionic materials and the design, fabrication and performance of devices that use them, such as lithium batteries, gas sensors, fuel cells, supercapacitors and electrochromic displays.

In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc.

This book presents an in-depth discussion on molecular electronics in an easy-to-understand manner, aiming at chemists, computer scientists, surface scientists, physicists, and applied mathematicians.

This book presents the latest research on adsorption science and technology.

This important book reviews extensively the preparative chemistry of various nanostructured materials, as well as structural-property correlations for these new materials.

This book presents more than 100 papers devoted to the understanding of fission processes and neutron-rich nuclei.

This invaluable book comprises assorted recent papers of Professor C N R Rao, a well-known chemist.

The field of chemical reaction dynamics has made tremendous progress during the last decade or so.

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.

Hydrothermal techniques have been widely used in the synthesis of advanced materials, the treatment of wastes, and the preparation and extraction of special chemicals.

Relativistic effects, though minor in light atoms, increase rapidly in magnitude as the atomic number increases.

In view of the rapid growth in both experimental and theoretical studies of multiphoton processes and multiphoton spectroscopy of atoms, ions and molecules in chemistry, physics, biology, material sciences, etc.

Few books cover experimental and theoretical methods to characterize decomposition, combustion and detonation of energetic materials.

The field of chemical reaction dynamics has made tremendous progress during the last decade or so.

The science of energy harvesting materials is experiencing phenomenal growth and attracting huge interest.

Adsorption is the basis of various emerging technologies that will be essential for addressing the problems of technologies that will be essential for addressing the problems of energy conservation and environmental protection.

Heats of hydrogenation constitute a body of thermochemical information that has had an on-going significance despite the small number of research groups engaged in the work.

The last decade has seen the emergence and explosive growth of a new field of condensed matter science: materials chemistry.

Among others, chemistry, physics, biology, and material sciences have seen a rapid growth in both experimental and theoretical studies of multi-photon processes and spectroscopy of atoms, ions and molecules.

The field of solid state ionics deals with ionically conducting materials in the solid state and numerous devices based on such materials.

The purpose of this book is to encourage the use of non-equilibrium thermodynamics to describe transport in complex, heterogeneous media.