Quantum & theoretical chemistry books

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

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

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

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Making smaller and faster computers is one of the main goals of current technological progress, and is determined...  Read More >>

Barone, selected researchers in theoretical chemistry present research highlights on major developments in the field....  Read More >>

4 Derivation of Elastic Networks from Continuum Elasticity 8. 6 Rigidity Percolation 8. 5 Mapping between rigidity...  Read More >>

Proceedings of the Second Structural Chemistry Indaba held in Kruger Park, South Africa, August 3-8, 1997  Read More >>

While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began...  Read More >>

Andrew Cooksy’s clear teaching voice help students connect immediately with the subject matter while defusing some...  Read More >>

Known for its solid presentation of mathematics, this bestseller is a rigorous but accessible introduction to both...  Read More >>

As HLRS operates not only a large cluster system but also one of the largest NEC vector systems in the world this...  Read More >>

Mathematics is playing an ever more important role in the physical and biological sciences, provoking a blurring...  Read More >>

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

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

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

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Molecular electronic-structure theory uses quantum mechanics to calculate the energies and wave functions of molecules...  Read More >>

The authors of this volume illustrate recent trends in the design and application of accurate force fields. Expert...  Read More >>

In this thesis, the author outlines the discovery of an effect common to representative examples of all Li salt-free...  Read More >>

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The Theory of Intermolecular Forces sets out the mathematical techniques needed to describe and calculate intermolecular...  Read More >>

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure...  Read More >>

This manual contains worked out solutions for selected problems throughout the text.  Read More >>

Proceedings of the NATO Advanced Study Institute / Advanced Research Workshop on (Title/Meeting, Place, Date)  Read More >>