Прочая образовательная литература
Различные книги в жанре Прочая образовательная литератураMaking Crystals by Design
An excellent overview of the manifold aspects of modern crystal engineering. From design and preparation to spectroscopy and applications, this handbook both covers and evaluates all aspects of crystal engineering. Clearly structured, it provides an overview of the current status as seen from its various angles as well as a comparison of different techniques and applications. An essential source of high quality information for everyone working in this booming and interdisciplinary field: spectroscopists, physical and inorganic chemists as well as materials scientists working in nanotechnology and the pharmaceutical industry.
Nanocrystals Forming Mesoscopic Structures
Focusing on both academic questions and applications of self-assembly of this extremely important class of compounds, this book discusses not only the self-organization of inorganic and magnetic nanocrystals, but also their collective optical and magnetic properties, as well as the in-situ fabrication of metal nanoparticles in solid matrices. Professor Marie-Paule Pileni, a distinguished leader in this field, is joined by a select group of expert authors to provide 14 chapters covering important aspects of self-assembled nanomaterials. The result is invaluable reading for inorganic and physical chemists, colloid chemists, polymer chemists, materials scientists, physicists, and chemical engineers working with and/or developing nanoparticle systems.
Advances in Chemical Physics
The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics • Includes 10 contributions from leading experts in this field of research • Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics
Molecular Electronic-Structure Theory
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
Reviews in Computational Chemistry
FROM REVIEWS OF THE SERIES «Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry.» -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING «One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general).» -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Adventures in Chemical Physics
Adventures in Chemical Physics continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers from a variety of prestigious academic and professional institutions such as McGill University, the University of Pennsylvania, the Lawrence Berkeley National Laboratory, Tel Aviv University, and the University of Chicago.
Advances in Chemical Physics
This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 131 includes chapters on: Polyelectrolyte Dynamics; Hydrodynamics and Slip at the Liquid-Solid Interface; Structure of Ionic Liquids and Ionic Liquid Compounds: Are Ionic Liquids Genuine Liquids in the Conventional Sense?; Chemical Reactions at Very High Pressure; Classical Description of Nonadiabatic Quantum Dynamics; and Non-Born Oppenheimer Variational Calculations of Atoms and Molecules with Explicitly Correlated Gaussian Basis Functions.
Reviews in Computational Chemistry
REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS. FROM REVIEWS OF THE SERIES «Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry.» –JOURNAL OF MOLECULAR GRAPHICS AND MODELLING «One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general).» –JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Advances in Chemical Physics
This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 129 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.
Reviews in Computational Chemistry
THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. TOPICS COVERED IN VOLUME 20 INCLUDE VALENCE THEORY, ITS HISTORY, FUNDAMENTALS, AND APPLICATIONS; MODELING OF SPIN-FORBIDDEN REACTIONS; CALCULATION OF THE ELECTRONIC SPECTRA OF LARGE MOLECULES; SIMULATING CHEMICAL WAVES AND PATTERNS; FUZZY SOFT-COMPUTING METHODS AND THEIR APPLICATIONS IN CHEMISTRY; AND DEVELOPMENT OF COMPUTATIONAL MODELS FOR ENZYMES, TRANSPORTERS, CHANNELS, AND RECEPTORS RELEVANT TO ADME/TOX. FROM REVIEWS OF THE SERIES «Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry.» -JOURNAL OF MOLECULAR GRAPHICS AND MODELING «One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general).» -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY