Quantum & theoretical chemistry books

This book shows the basic concepts of formal methods and highlights modern modifications and enhancements to provide...  Read More >>

This book covers the results obtained in the Tera op Workbench project during a four years period from 2004 to 2008....  Read More >>

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Therefore, to obtain realistic estimates of measurement uncertainties, mathematical methods must be supplemented...  Read More >>

This introductory course on quantum mechanics is the basic lecture that precedes and completes the author's second...  Read More >>

This book provides a hands-on experience with atomic structure calculations. It includes illustrative problems,...  Read More >>

Specific areas of study include dynamical systems, non-equilibrium statistical mechanics, kinetic theory, hydrodynamics...  Read More >>

Early in this century, the newly discovered x-ray diffraction by crystals caused a complete change in crystallography...  Read More >>

Thermodynamics is an important tool to interpreting the conditions at which natural geomaterial equilibrate. Simple...  Read More >>

Covers many of the non-smooth, non-linear phenomena.  Read More >>

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The target readership includes scientists, as well as non-scientists – everybody with a scientific or philosophical...  Read More >>

Similar to the workshop two years ago, the majority of the contributed papers belong to the area of computational...  Read More >>

""Kinetics and Dynamics"" on molecular modeling of dynamic processes opens with an introductory overview before...  Read More >>

The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and...  Read More >>

With the help of more powerful computers the results of coupled-cluster approaches started to yield more and more...  Read More >>

Synthesizing the current research on carbon materials, this volume explores how varying methods can be combined...  Read More >>

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Making extensive use of Matlab and Octave, this textbook illustrates several numerical methods for the computer...  Read More >>

In this book, Professor Pritchard presents a treatment that dissects the unimolecular reaction process into a sequence...  Read More >>

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This book covers relativistic effects in atomic and molecular systems and processes as well as their consequences...  Read More >>

In section two of chapter two, nonlinear ordinary differential equations are presented and include simultaneous...  Read More >>

The book provides an exciting interwoven mosaic about the evolutionary nature of chemistry. It follows chemical...  Read More >>

It contains three chapters: Chapter IV on one-step (Runge-Kutta) meth­ ods for stiff problems, Chapter V on multistep...  Read More >>