Quantum & theoretical chemistry books

The book presents the state of the art in high performance computing and simulation on modern supercomputer architectures....  Read More >>

Some of the scientists have subsequently presented their problems in the IMA seminar on Industrial Problems. The...  Read More >>

During the last decade there has been a renewed interest in research on supramolecular assemblies in solutions,...  Read More >>

If one (at least) of the materials is a fluid, which forms with another fluid (or gas) a free surface interface,...  Read More >>

Understanding molecular orbitals (MOs) is a prerequisite to appreciating many physical and chemical properties of...  Read More >>

(John Milton, 1608 -1674) There are essentially two types of books on a scientific subject: in the first one several...  Read More >>

The present volume makes available in one convenient place all the research papers published by Raymond D. Included,...  Read More >>

This IMA Volume in Mathematics and its Applications SHOCK INDUCED TRANSITIONS AND PHASE STRUCTURES IN GENERAL MEDIA...  Read More >>

The book is devoted to the application of phase-field (diffuse interface) models in materials science. Phase-field...  Read More >>

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A rational study of kinematics is a treatment of the subject based on invariants, i.e., quantities that remain essentially...  Read More >>

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The evolution of a discipline at the intersection of physics, chemistry, and mathematics.  Read More >>

Even the simplest approximation of DF, the local spin density method (LSD), yields molecular structures typical...  Read More >>

The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions...  Read More >>

Ever since the seminal works on traveling waves and morphogenesis by Fisher, by Kolmogorov, Petrovski and Piscunov,...  Read More >>

The material covered by this book has been taught by one of the authors in a post-graduate course on Numerical Analysis...  Read More >>

Reviews the current state of knowledge in the areas of flame structure, stability, ignition, chemical kinetics,...  Read More >>

The last chapter addresses novel z methods and applications of two-dimensional exchange NMR for investigations of...  Read More >>

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What our teachers don't tell us in school is that we will spend most of our scientific or engineering career in...  Read More >>

At this point it simply becomes necessary to talk about the computer informa­ tion industry, which is more and more...  Read More >>

Das Buch ist eine Einführung in die Wahrscheinlichkeitsrechnung und mathematische Statistik auf mittlerem mathematischen...  Read More >>

This work contains the first unified account of the currently used mathematical models for charge transport in semiconductor...  Read More >>

After describing the multiple-scale method (which consists in asymptotic expansions), we focus our attention on...  Read More >>