Quantum & theoretical chemistry books

Presents research in the study of quantum-chemical calculations of various molecular systems. This book includes...  Read More >>

Covers the science and technology of carbon plasmas and carbon vapors. Thsi book covers two strongly related fields:...  Read More >>

Features such topics as: Structure, Bonding, and Reactivity of Reactant Complexes and Key Intermediates; Cycloisomerization...  Read More >>

Metallic systems are ubiquitous in daily life. They play key roles, for example, in the chemistry of many biomolecules,...  Read More >>

With contributions from a team of leading experts, this volume provides a comprehensive survey of recent achievements...  Read More >>

A clear understanding of the concepts, definitions and difficulties underlying the problem of determining single-ion...  Read More >>

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The author used a combination of global optimization techniques - coupled with a Gupta-type empirical many-body...  Read More >>

""Linear-Scaling Techniques in Computational Chemistry and Physics"" summarizes recent progresses in linear-scaling...  Read More >>

Das Buch enthält Abschnitte über Matrizengleichungen und -funktionen, eine computergerechte Darstellung und Lösung...  Read More >>

The Mathematics and Topology of Fullerenes presents a comprehensive overview of scientific and technical innovations...  Read More >>

Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed...  Read More >>

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This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density...  Read More >>

Time-dependent density functional response theory for electronic chiroptical properties of chiral molecules; by...  Read More >>

It is a reference work for scientists, environmental safety engineers and R&D specialists who wish to further promote...  Read More >>

Predicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still,...  Read More >>

By incorporating biologically-inspired functions into ICT, various types of new-generation information and communication...  Read More >>

At a time when computerized laboratory automation is producing a da ta explosion, chemists are turning to applied...  Read More >>

Proceedings of the 14th Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 13-16,...  Read More >>

The third volume in the series on Computer Simulation of Biomolecular Systems continues with the format introduced...  Read More >>

As HLRS operates the largest NEC SX-8 vector system in the world, this book gives an excellent insight into the...  Read More >>

Gives the state of the art from the point of view of numerical mathematicians as well as that of engineers. The...  Read More >>

Also the present second edition of this book is an introduction to the theory of clas­ sification, enumeration,...  Read More >>

Physical techniques such as X-ray crystallography, IR spectroscopy and solution-phase NMR spectroscopy have played...  Read More >>