Kvantkemi & teoretisk kemi

The place of chemistry in the metaphysics of science may be viewed as peripheral compared to physics and biology. However, a metaphysics of science that disregards chemistry would …

This volume of the Encyclopedia of Complexity and Systems Science, Second Edition, is a unique collection of concise overviews of state-of-art, theoretical and experimental …

Hybrid Methods of Molecular Modeling is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the …

This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early …

This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It …

Comprehensive Computational Chemistry stands as an authoritative publication, comprising over 150 chapters that encompass the entire spectrum of the field. It delves into the …

The chemical shift responds to the variation of the ge­ ometry of the chain, and the broad resonance regions can be explained by an inhomogeneous superposition of various chain …

Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical …

This volume records the proceedings of a Forum attended by many leading researchers working in the field of Electron Density, Density Matrix and Density Functional Theory held at …

The fourth edition of this successful textbook presents a comprehensive introduction to statistical and numerical methods for the evaluation of empirical and experimental data. …