Описание: This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts.
Описание: This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts.
Автор: Wesolowski Tomasz A. Название: Recent Progress in Orbital-Free Density Functional Theory ISBN: 9814436720 ISBN-13(EAN): 9789814436724 Издательство: World Scientific Publishing Рейтинг: Цена: 22968.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of sub-domains but also include original research.
Автор: Tomohiko Ishii; Hisanobu Wakita; Kazuyoshi Ogasawa Название: The DV-X? Molecular-Orbital Calculation Method ISBN: 3319111841 ISBN-13(EAN): 9783319111841 Издательство: Springer Рейтинг: Цена: 15957.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This multi-author contributed volume contains chapters featuring the development of the DV-XГЋВ± method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies.
Автор: McCaw Charles Stuart Название: Orbitals: With Applications in Atomic Spectra (Revised Edition) ISBN: 1786348721 ISBN-13(EAN): 9781786348722 Издательство: World Scientific Publishing Рейтинг: Цена: 14256.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: 'Without being an explicitly philosophical treatise Chas McCaw's book delves into some of the deepest and most difficult aspects of atomic physics and chemistry and its underlying quantum mechanical account … One of the many strengths of the book under review is that it takes a rigorous and unflinching look at the necessary mathematical details. In addition, the author, who is the Head of Science at Winchester College in the UK, provides as many as 107 exercises which are interspersed throughout the main text. The detailed solutions are given at the end of the book, over a sequence of about 50 pages.'
Foundations of Chemistry
Orbitals: With Applications in Atomic Spectra describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation.This revised edition includes new discussion of the origins of the colour of gold and the 'accidental degeneracy' of the hydrogen atom subshells, a new figure, a new exercise and worked solution, as well as several new references. It also contains current and accurate updates to the old edition.Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory, results are obtained from initial postulates without the need for sophisticated mathematics. The book explains topics from first principles and guides the reader carefully through the necessary mathematics, supplemented by worked solutions to problems.
Автор: Mccaw, Charles Stuart (winchester College, Uk) Название: Orbitals: with applications in atomic spectra (revised edition) ISBN: 1786348853 ISBN-13(EAN): 9781786348852 Издательство: World Scientific Publishing Рейтинг: Цена: 7128.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: 'Without being an explicitly philosophical treatise Chas McCaw's book delves into some of the deepest and most difficult aspects of atomic physics and chemistry and its underlying quantum mechanical account … One of the many strengths of the book under review is that it takes a rigorous and unflinching look at the necessary mathematical details. In addition, the author, who is the Head of Science at Winchester College in the UK, provides as many as 107 exercises which are interspersed throughout the main text. The detailed solutions are given at the end of the book, over a sequence of about 50 pages.'
Foundations of Chemistry
Orbitals: With Applications in Atomic Spectra describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation.This revised edition includes new discussion of the origins of the colour of gold and the 'accidental degeneracy' of the hydrogen atom subshells, a new figure, a new exercise and worked solution, as well as several new references. It also contains current and accurate updates to the old edition.Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory, results are obtained from initial postulates without the need for sophisticated mathematics. The book explains topics from first principles and guides the reader carefully through the necessary mathematics, supplemented by worked solutions to problems.
Автор: Mccaw Charles Stuart Название: Orbitals: With Applications In Atomic Spectra ISBN: 1911299808 ISBN-13(EAN): 9781911299806 Издательство: World Scientific Publishing Рейтинг: Цена: 6653.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
"This clearly written and elegantly presented short textbook will meet essential needs in diverse undergraduate Chemistry courses, covering orbitals in simple hydrogen - like atoms, multi-electron atoms and in molecules in a mathematically rigorous yet simultaneously physically insightful manner. I will certainly recommend the text to my undergraduates. In excess of 100 problems with full worked answers at all levels are provided and will certainly become a major teaching resource."
Richard G Compton Tutor in Chemistry St John's College Oxford University, UK
This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation.
Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory the results are obtained from initial postulates without the need for sophisticated mathematics.
Автор: McCaw Charles S. Название: Orbitals ISBN: 1783264136 ISBN-13(EAN): 9781783264131 Издательство: World Scientific Publishing Рейтинг: Цена: 13622.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
"This clearly written and elegantly presented short textbook will meet essential needs in diverse undergraduate Chemistry courses, covering orbitals in simple hydrogen - like atoms, multi-electron atoms and in molecules in a mathematically rigorous yet simultaneously physically insightful manner. I will certainly recommend the text to my undergraduates. In excess of 100 problems with full worked answers at all levels are provided and will certainly become a major teaching resource."
Richard G Compton Tutor in Chemistry St John's College Oxford University, UK
This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation.
Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory the results are obtained from initial postulates without the need for sophisticated mathematics.
Автор: Anne-Marie Sapse Название: Molecular Orbital Calculations for Amino Acids and Peptides ISBN: 1461271096 ISBN-13(EAN): 9781461271093 Издательство: Springer Рейтинг: Цена: 11398.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume describes in detail the technique of molecular orbital calculations for biochemistry. The level of presentation will be accessible to biochemists, and biophysicists.
Описание: The aim of these notes is to provtde a summary and concise introduction to elementary molecular orbital theory, with an emphasis on semiempirical methods. The aim of semiempirical methods mainly lies in a semiquantitative classification of electronic pro- perties and in the search for regularities within given classes of larger molecules.
Автор: Lemont B. Kier Название: Molecular Orbital Studies in Chemical Pharmacology ISBN: 354004972X ISBN-13(EAN): 9783540049722 Издательство: Springer Рейтинг: Цена: 13415.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The lecturers at this symposium, all interested in molecular orbital theory, have backgrounds in pharmacology, physical chemistry, theoretical chemistry, bio- chemistry and medicinal chemistry.
Описание: This is a guide for the growing number of researchers in organic chemistry, biochemistry and molecular biology who would like to augment their experiments with theoretical calculations. The book teaches the use of quantum chemical computer programs while side-stepping the complex mathematics.
ООО "Логосфера " Тел:+7(495) 980-12-10 www.logobook.ru
