Kategoria BISAC: Science >> Chemistry - Physical & Theoretical

Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and...

Extensive explanations of problems from the text

Student Solutions Manual to accompany Electrochemical Methods: Fundamentals and Applications, 2nd Edition provides fully-worked solutions for the problems presented in the text. Extensive, in-depth explanations walk you step-by-step through each problem, and present alternative approaches and solutions where they exist. Graphs and diagrams are included as needed, and accessible language facilitates better understanding of the material. Fully aligned with the text, this manual covers thermodynamics, mass transfer,...

Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications. Geared towards an advanced undergraduate or introductory graduate course, this Third Edition has revised and expanded coverage of molecular mechanics, molecular orbital theory, molecular quantum chemistry, and semi-empirical and ab initio molecular orbital approaches.
With significant changes made to adjust for improved technology and increased computer literacy,...

From reviews of previous volumes:

"Essential for chemistry collections at the university and research levels."
--The New York Public Library

"Highly recommended...lots of succinct, practical information on recent developments...in a format that is easy to use. The reagents are taken up in alphabetical order (common usage names, not CAS indexing code names), sometimes several to a page, sometimes several pages to a reagent. One can expect to find how to make the reagent (in loose terms), or where it can be bought, what it is good for, and where to seek complete...

This is the only series of volumes available that represents the cutting edge of research relative to advances in chemical physics. Provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.

• Continues to report recent advances with significant, up-to-date chapters.
• Contributing authors are internationally recognized researchers.

Edited by Nobel Prize-winner Ilya Prigogine and renowned authority Stuart A. Rice, the Advances in Chemical Physics series provides a forum for critical, authoritative evaluations in every area of the discipline. In a format that encourages the expression of individual points of view, experts in the field present comprehensive analyses of subjects of interest.
This stand-alone, special topics volume, edited by Gert D. Billing of the University of Copenhagen and Michael Baer of the Soreq Nuclear Research Center in Yavne, Israel, reports recent advances on the role of degenerate states in...

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...

Recent advances from internationally recognized researchers
Advances in Chemical Physics is the only series of volumes available to represent the cutting edge of research in the discipline. It creates a forum for critical, authoritative evaluations of advances in every area of the chemical physics field. Volume 128 continues to report recent developments with significant, up-to-date chapters by internationally recognized researchers. Volume 128 includes: "Nucleation in Polymer Crystallization," by M. Muthukumar; "Theory of Constrained Brownian Motion," by David C. Morse;...

Compiles all procedures outlined in Organic Syntheses Volumes 75-79

Organic Syntheses consists of protocols for the synthesis of useful chemical compounds. Each protocol is repeated in the laboratory of one of the editorial board members for accuracy or for missing experimental details prior to publication. For each protocol, safety warnings are presented along with detailed experimental descriptions for the preparation, purification, and identification of the compound. Additionally, special reaction conditions are detailed, along with the source of reagents, waste disposal information, a...

The first in-depth analysis of pairs trading
Pairs trading is a market-neutral strategy in its most simple form. The strategy involves being long (or bullish) one asset and short (or bearish) another. If properly performed, the investor will gain if the market rises or falls. Pairs Trading reveals the secrets of this rigorous quantitative analysis program to provide individuals and investment houses with the tools they need to successfully implement and profit from this proven trading methodology. Pairs Trading contains specific and tested formulas for identifying and investing in...

Laser Chemistry: Spectroscopy, Dynamics and Applications provides a basic introduction to the subject, written for students and other novices. It assumes little in the way of prior knowledge, and carefully guides the reader through the important theory and concepts whilst introducing key techniques and applications.

Laser Chemistry: Spectroscopy, Dynamics and Applications provides a basic introduction to the subject, written for students and other novices. It assumes little in the way of prior knowledge, and carefully guides the reader through the important theory and concepts whilst introducing key techniques and applications.

The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.
Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and...

This authoritative and comprehensive volume presents the essence of catalytic chemistry, describing the structure of catalysts, the technology in which they are used and the chemical transformations that occur during reaction.
Heterogeneous catalytic oxidation is a key technique used in the large-scale production of organic chemicals. This text uses catalytic oxidation to explain the principles of heterogeneous catalysis and includes descriptions of how reactants and products interact on the molecular scale with the active sites on the surface of these materials.
Following an...

This book describes the use of modern computational methods in predicting high resolution molecular spectra, which allows the experimental spectroscopist to interpret and assign real spectra.
* Offers a comprehensive treatment of modern computation techniques.

* Provides a collection of material from different areas of theoretical chemistry and physics.

* Bridges the gap between traditional quantum chemistry and experimental molecular spectroscopy.

Understanding Physical Chemistry is a gentle introduction to the principles and applications of physical chemistry. The book aims to introduce the concepts and theories in a structured manner through a wide range of carefully chosen examples and case studies drawn from everyday life. These real-life examples and applications are presented first, with any necessary chemical and mathematical theory discussed afterwards. This makes the book extremely accessible and directly relevant to the reader.

Aimed at undergraduate students taking a first course in physical chemistry, this book...

A comprehensive introduction, examining both macroscopic and microscopic aspects of the subject, the book applies the theory of thermodynamics to a broad range of materials; from metals, ceramics and other inorganic materials to geological materials.

Focusing on materials rather than the underlying mathematical concepts of the subject, this book will be ideal for the non-specialist requiring an introduction to the energetics and stability of materials. Macroscopic thermodynamic properties are linked to the underlying miscroscopic nature of the materials and trends in important properties...

The most useful experimental methods for all types of solubility measurements

The importance of solubility phenomena has been long recognized throughout science. For example, in medicine, the solubility of gases in liquids forms the basis of life itself; in the environment, solubility phenomena influence the weathering of rocks, the creation of soils, the composition of natural water bodies and the behaviour and fate of many chemicals. However, until now, no systematic critical presentation of the methods for obtaining solubilities has been given.

Divided into five sections the...

This ongoing series, originated in 1967, has become the standard guide to the preparation, properties and uses of thousands of reagents, and additional references to reagents previously discussed. It includes data on structural formulae, molecular weight, physical constants, preferred method of preparation, and examples of important uses. It also contains data on commonly used reagents from 1966 to 1988.

This volume presents more than 200 checked procedures, bringing the total number of procedures covered by the series to over 3,000. The syntheses appear in 68 numbered sections, grouped into nine chapters that correspond to current areas of research. Noteworthy is the inclusion of syntheses of the early transition-metals polyoxoanions, a class of compounds notably difficult to prepare in pure form. The compounds synthesized are useful, not only to inorganic chemists, but to organic, polymer and solid state chemists, biochemists and materials scientists.