Foundations of Molecular Structure Determination, Duckett, Simon; Gilbert, Bruce; Cockett, Martin

Автор: Rivlin, Geoffrey
Название: Understanding the Law
ISBN: 0199608806 ISBN-13(EAN): 9780199608805
Издательство: Oxford Academ
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Автор: Helgaker
Название: Molecular Electronic-Structure Theory
ISBN: 1118531477 ISBN-13(EAN): 9781118531471
Издательство: Wiley
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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: Ladd Mark F.C., Palmer Rex A.
Название: Structure Determination by X-Ray Crystallography
ISBN: 0306474530 ISBN-13(EAN): 9780306474538
Издательство: Springer
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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.