Quantum & theoretical chemistry books

This book presents a detailed analysis of structural preferences in monometallic and bimetallic gold nanoclusters....  Read More >>

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The quantum and relativity theories of physics are considered to underpin all of science in an absolute sense.  Read More >>

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Cindy Schulenburg and Donald Hilvert, Protein Conformational Disorder and Enzyme Catalysis. Brooks III, Multiple...  Read More >>

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

Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method...  Read More >>

Theoretical investigations of atoms and molecules interacting with pulsed or continuous wave lasers up to atomic...  Read More >>

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Quantum Monte Carlo is a large class of computer algorithms that simulate quantum systems to solve many body systems...  Read More >>

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

Wissenschaftliche Forschungsberichte, Reihe I, Abt.A, Band 7  Read More >>

Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate...  Read More >>

This book is an introduction to the theories of Special and General Relativity. In part I the foundations of Special...  Read More >>

When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided...  Read More >>

Frustrated Lewis Pairs: From Dihydrogen Activation to Asymmetric Catalysis, by Dianjun Chen, Jürgen Klankermayer...  Read More >>

His approach contributes to explain processes of high importance to all scientific fields concerned with the interaction...  Read More >>

This volume explains how topological mechanisms operate at the nanoscale. It presents electronic and magnetic features...  Read More >>

This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of...  Read More >>

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The book treats the two-electron atom as the simplest example of the many-electron atom—as opposed to using techniques...  Read More >>

Discovery of Frustrated Lewis Pairs: Intermolecular FLPs for Activation of Small Molecules, by Douglas W. Stephan...  Read More >>