Quantum & theoretical chemistry books

The use of numerical grid methods to solve the Schrodinger equation has rapidly evolved in the past decade.The early...  Read More >>

Structure-Based Drug Design brings together scientists working on different aspects of the subject, demonstrating...  Read More >>

Since the publication of the first edition of this book, there have been many im­ portant new developments in the...  Read More >>

As we were at pains to point out in the companion volume to this mo- graph, entitled Complexity in Chemistry: Introduction...  Read More >>

The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions...  Read More >>

Interest in the transition metal oxides with perovskite related structures goes back to the 1950s when the sodium...  Read More >>

Providing the quantum-mechanical foundations of chemical bonding, this unique textbook emphasizes key concepts such...  Read More >>

This book represents the first comprehensive review of this growing area of research and covers the basic theory...  Read More >>

The multidisciplinary aspect, involving various methodologies from synthesis to electro and photochemistry, from...  Read More >>

This volume contains refereed papers submitted by international experts who participated in the Atmospheric Modeling...  Read More >>

§18 Operators with Almost Periodic Coefficients . The Density of States of an Operator with Almost Periodic Coefficients...  Read More >>

with contributions by numerous experts  Read More >>

The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally...  Read More >>

The book presents in a lucid and accessible form classical areas of mathematics like algebra, geometry and analysis...  Read More >>

Whoever begins writing a book on quantum mechanics is struck by the breadth of the subject. In its applications...  Read More >>

This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities...  Read More >>

Largely written in review style, it will also serve as an excellent overview of recent developments. Nonrelativistic...  Read More >>

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated...  Read More >>

Exponential Fitting is a procedure for an efficient numerical approach of functions consisting of weighted sums...  Read More >>

Proceedings of the NATO Advanced Research Workshop, Bardolino, Italy, 21-26 June 1996  Read More >>

Horne's translation In this book I tried to sum up the facts and results I considered most important concerning...  Read More >>

The Editors are grateful to EPSRC through its Collaborative Computational Project program (CCP2), lOPP, the Division...  Read More >>

It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry...  Read More >>

The remarkable idea of Abel to replace these integrals by the corresponding inverse functions led to the creation...  Read More >>

Centered around the fundamental issue of graph isomorphism, this text goes beyond classical graph problems of shortest...  Read More >>