Quantum & theoretical chemistry books

This introductory text uses Matlab and the freeware Octave program for the computer solution of mathematical problems....  Read More >>

This new edition incorporates new developments in numerical methods for singularly perturbed differential equations,...  Read More >>

Explores the foam-like carbon structures, which relate to 'schwarzites' and which are infinite periodic minimal...  Read More >>

Offers the foundations of system analysis as an applied scientific methodology assigned for the investigation of...  Read More >>

Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of...  Read More >>

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With the investment of more than 60 Million Euro, we – as the users of such a valuable infrastructure – are not...  Read More >>

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods...  Read More >>

This is the first textbook on Computational Chemistry to genuinely cover the basics. This corrected second edition...  Read More >>

These activities aligns well with the activities of HLRS in the European HPC infrastructure project DEISA (Distributed...  Read More >>

Comprehensive theoretical and experimental analysis of UV-radiation and low energy electron induced phenomena in...  Read More >>

Describes the field of State-of-Charge (SoC) indication for rechargeable batteries. This book provides an overview...  Read More >>

It is an indisputable fact that computational physics form part of the essential landscape of physical science and...  Read More >>

The quantum chemical studies of molecular systems affected by the interaction with a solvent had its own turning...  Read More >>

Divided into two parts, Part 1 is concerned with the theory and computing of non-linear optical (NLO) properties...  Read More >>

This book explores various molecular modelling techniques and their applications in providing an understanding of...  Read More >>

Subjects such as discretisations or methods for solving ordinary di?erential equations are prepared carefully in...  Read More >>

Although computational modeling and simulation of material deformation was initiated with the study of structurally...  Read More >>

This book presents in a single volume, a concise and thorough review of the fascinating area of sonochemistry. It...  Read More >>

The aim of this highly original book is to survey a number of chemical compounds that some chemists, theoretical...  Read More >>

The Indaba 5 meeting, held in South Africa during August 2006, examined the progress being made to achieve first-principle...  Read More >>

The first part of this book is a critical account of chemical theory from its genesis through the dramatic events...  Read More >>

This book presents the state-of-the-art in simulation on supercomputers. Leading researchers present results achieved...  Read More >>

Although it is recognized as the most fundamental branch of mathem- ics,thevocabulary ofnumbertheoryincludesconcepts...  Read More >>

Computational chemistry and molecular modeling is a fast emerging area which is used for the modeling and simulation...  Read More >>