Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. The energy levels for a variety of spins are generated and the modeling of the magnetization, the magnetic susceptibility and the heat capacity is done. Theoretical formulae necessary in performing the energy level calculations for a multi-term system are prepared with the help of the irreducible tensor operator approach. The goal of the programming lies in the fact that the entire relevant matrix...
Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix e...
Written for those working in ceramics, materials science and physical chemistry, this volume contains discussion of phase equilibria in the Si-B-C-N system, the synthetic approaches, properties and applications of silicon carbide, and amorphous multinary ceramics in the Si-B-N-C system.
Written for those working in ceramics, materials science and physical chemistry, this volume contains discussion of phase equilibria in the Si-B-C-N s...
This book summarizes some recent developments in the area of high-energy high-density (HEDM) materials. Rather than being comprehensive in scope, emphasis is given to structural and bonding features of highly energetic - terials with possible applications as high explosives (secondary explosives) or propellants. In this book we do not focus on primary explosives (e.g. lead azidereplacements)sincebyde?nitiontheexplosiveperformance(detonation velocity and detonation pressure) of such materials although very sensitive are much less energetic than secondary (high) explosives. Modern HEDMs derive...
This book summarizes some recent developments in the area of high-energy high-density (HEDM) materials. Rather than being comprehensive in scope, emph...
D. Braga, L. Maini, M. Polito, F. Grepioni: Hydrogen Bonding Interactions Between Ions: A Powerful Tool in Molecular Crystal Engineering; P. Hubberstey, U. Suksangpanya, M. Schroder: Hydrogen- Bonded Supramolecular Chain and Sheet Formation by Co-ordinated Guandine Derivatives; R.
D. Braga, L. Maini, M. Polito, F. Grepioni: Hydrogen Bonding Interactions Between Ions: A Powerful Tool in Molecular Crystal Engineering; P. Hubberste...
H. M. Cartwright: An Introduction to Evolutionary Computation andEvolutionary Algorithms; B. Hartke: Application of Evolutionary Algorithms to Global Cluster Geometry Optimization; K.D.M. Harris, R.L. Johnston, S. Habershon: Application of Evolutionary Computation in Structure Solution from Diffraction Data; S. M.
H. M. Cartwright: An Introduction to Evolutionary Computation andEvolutionary Algorithms; B. Hartke: Application of Evolutionary Algorithms to Global ...
Functional materials research is one of the high priority strategic areas of - st velopmentinscienceandtechnologyinthe21 century.Amongstthevarietyof functions,theinteractionofmatterwithlighttogeneratelight-drivenorpho- responsive properties has always been one of the most appealing and attr- tive areas. Recent advances in the exploitation of transition metal complexes in bringing about photo-induced functions have attracted growing attention, particularly in areas related to materials, energy, and biomedical research. Selected examples include the development of molecular triplet emitters for...
Functional materials research is one of the high priority strategic areas of - st velopmentinscienceandtechnologyinthe21 century.Amongstthevarietyof f...
Table of contents P.L.A. Popelier: Quantum Chemical Topology: on Bonds and Potentials.- A. Soncini, P.W. Fowler, L.W. Jenneskens: Angular Momentum and Spectral Decomposition of Ring Currents: Aromaticity and the Annulene Model.- S.L. Price, L.S. Price: Modelling Intermolecular Forces for Organic Crystal Structure Prediction.- C. Millot: Molecular Dynamics Simulations and Intermolecular Forces.- S. Tsuzuki: Interactions with Aromatic Rings
Table of contents P.L.A. Popelier: Quantum Chemical Topology: on Bonds and Potentials.- A. Soncini, P.W. Fowler, L.W. Jenneskens: Angular Momentum and...
From the viewpoint of structural chemistry, structure and bonding lie at the heart of rational syntheses that have already contributed to many signi?cant scienti?c advances in inorganic chemistry and material chemistry, and especially to the discovery of some functional materials. Naturally the ?rst step to novel functional material is synthesis, and in many cases exploratory synthesis seems to be the onlyworkableroutetonewcompound.However, rationalsynthesiswillsurelymake property-oriented exploration more fruitful and pleasing. Successundertheguidanceofelectronicstructuralfeatures,...
From the viewpoint of structural chemistry, structure and bonding lie at the heart of rational syntheses that have already contributed to many signi?c...
