Research in Atomic Structure, S. Fraga; M. Klobukowski; J. Muszynska; E. San Fab

Название: Advanced Organic Chemistry. Part A: Structure and Mechanisms
ISBN: 0387683461 ISBN-13(EAN): 9780387683461
Издательство: Springer
Рейтинг:
Цена: 8384.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: The two-part, fifth edition of Advanced Organic Chemistry has been substantially revised and reorganized for greater clarity. together, with Part B: Reaction and Synthesis, the two volumes provide a comprehensive foundation for the study in organic chemistry.

Автор: Ladd Mark F.C., Palmer Rex A.
Название: Structure Determination by X-Ray Crystallography
ISBN: 0306474530 ISBN-13(EAN): 9780306474538
Издательство: Springer
Рейтинг:
Цена: 14673.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: There have been many advances in x-ray crystallography since the production of the third edition of this book, and the authors have endeavoured to introduce a number of them into this new edition. The overall plan of the book has been maintained because we believe that it has been well received in the academic community, but substantial revisions have been carried out and new material and chapters added. In particular, we have extended the discussion of the theory of x-ray diffraction and added new chapters on structure determination from powder data, on macromolecular crystallography, and on computational procedures in x-ray crystallography. We consider that x-ray crystallography is a universal tool for studying molecular structure, a view upheld by the pioneers in the subject, notably W.H. & W.L. Bragg, J. D. Bernal, Dorothy Hodgkin (nГ©e Crowfoot), Kathleen Lonsdale (nГ©e Yardley), and Linus Pauling, so that the broadening of the scope of the text in this way is fully justified. We have maintained the practice of devising problems to illustrate the work of each chapter, and have provided detailed, tutorial solutions. The appendices contain mostly mathematical procedures related to the material of the main text.This edition is accompanied by a suite of computer programs on a compact disc. The programs enable the reader to participate fully in many of the aspects of x-ray crystallography discussed in the book. In particular, the program system XRAY* is interactive, and enables the reader to follow through, at the monitor screen, the computational techniques involved in single-crystal structure determination, albeit in two dimensions. Several sets of x-ray data are provided for practice with this system.

Автор: Manuel Cardona; Michel Lannoo; Paul Friedel
Название: Atomic and Electronic Structure of Surfaces
ISBN: 354052682X ISBN-13(EAN): 9783540526827
Издательство: Springer
Рейтинг:
Цена: 16769.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: Surfaces and interfaces play an increasingly important role in today`s solid state devices. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations.

Автор: Manuel Cardona; Michel Lannoo; Paul Friedel
Название: Atomic and Electronic Structure of Surfaces
ISBN: 3642080944 ISBN-13(EAN): 9783642080944
Издательство: Springer
Рейтинг:
Цена: 16769.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: Surfaces and interfaces play an increasingly important role in today`s solid state devices. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations.

Автор: L.D. Barron; Zvonimir B. Maksic; J.E. Boggs; Jens
Название: Atomic Hypothesis and the Concept of Molecular Structure
ISBN: 3642647758 ISBN-13(EAN): 9783642647758
Издательство: Springer
Рейтинг:
Цена: 6986.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: Secondly, modern quantitative computational ab initio methods can be synergetically combined with various experimen- tal techniques thus enabling precise numerical characterization of molecular properties better than ever anticipated earlier.

Автор: Mikhail E. Elyashberg
Название: Computer–Based Structure Elucidation from Spectral Data
ISBN: 3662510545 ISBN-13(EAN): 9783662510544
Издательство: Springer
Рейтинг:
Цена: 14365.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure.

Автор: Helgaker
Название: Molecular Electronic-Structure Theory
ISBN: 1118531477 ISBN-13(EAN): 9781118531471
Издательство: Wiley
Рейтинг:
Цена: 11238.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: Molecular electronic-structure theory uses quantum mechanics to calculate the energies and wave functions of molecules and their molecular properties. It uses sophisticated mathematics and computers to solved the wave equations. The calculations can be used to find out how the atoms of the molecule are linked together in a molecule.

Автор: Pettifor, D.g.
Название: Bonding and structure of molecules and solids
ISBN: 0198517866 ISBN-13(EAN): 9780198517863
Издательство: Oxford Academ
Рейтинг:
Цена: 8237.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: This volume explains the observed trends in the bonding and structure of molecules and solids within the framework of simple but predictive models that are based on the modern real-space approach to the electronic structure. It is directed at final year undergraduates and first year postgraduates in physics, chemistry, and materials science.

Автор: Filby
Название: Atomic and Nuclear Methods in Fossil Energy Research
ISBN: 1468441353 ISBN-13(EAN): 9781468441352
Издательство: Springer
Рейтинг:
Цена: 6986.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: The increased demand on fossil fuels for energy production has resulted in expanded research and development efforts on direct use of fossil fuels and conversion of fossil fuels into synthetic fuels. These efforts have focused on the efficiency of the energy production and/or conversion processes, and of the emission control technology, as well as delineation of the health and environmental impacts of those processes and their by-products. A key ingredient of these studies is the analytical capability necessary to identify and quan- tify those chemicals of interest in the process and by-produce streams from coal combustion, oil shale retorting, petroleum refin- ing, coal l1quifaction and gasification. These capabilities are needed to analyze a formidable range of materials including liquids, solids, gases and aerosols containing large numbers of criteria and pollutants including potentially hazardous polynuclear aromatic hy- drocarbons, organo-sulfur and organo-nitrogen species, trace elements and heavy metals, among others. Taking notice of these developments we sought to provide a forum to discuss the latest information on new and novel applica- tions of a subset of those necessary analytical capabilities, namely atomic and nuclear techniques. Consequently, we organized the con- ference on Atomic and Nuclear Methods in Fossil Fuel Energy Research, which was held in Mayaguez, Puerto Rico from December 1 to December 4, 1980.

Автор: Elyashberg, Mikhail E. Williams, Antony J.
Название: Computer-based structure elucidation from spectral data
ISBN: 3662464012 ISBN-13(EAN): 9783662464014
Издательство: Springer
Рейтинг:
Цена: 16979.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: Computer-Based Structure Elucidation from Spectral Data