Главная    Ex Libris    Книги    Журналы    Статьи    Серии    Каталог    Wanted    Загрузка    ХудЛит    Справка    Поиск по индексам    Поиск    Форум   
blank
Авторизация

       
blank
Поиск по указателям

blank
blank
blank
Красота
blank
Dykstra C.E. — AB Initio Calculation of the Structures and Properties of Molecules
Dykstra C.E. — AB Initio Calculation of the Structures and Properties of Molecules

Читать книгу
бесплатно

Скачать книгу с нашего сайта нельзя

Обсудите книгу на научном форуме



Нашли опечатку?
Выделите ее мышкой и нажмите Ctrl+Enter


Название: AB Initio Calculation of the Structures and Properties of Molecules

Автор: Dykstra C.E.

Аннотация:

This book is intended as a guide to the ab initio calculation of molecular structure and properties. It provides the necessary working information to enable the non-specialist to use and understand electronic structure methods and related computing technology, despite the high level of sophistication of quantum chemical methods.

The initial chapters define and outline theoretical concepts, methods and computational approaches. Descriptive information and definitions of the terminology are given first; more detailed and mathematical explanations follow. These first chapters thus provide the background information needed to use the extensive literature of ab initio electronic structure theory. The next chapter first provides an overview of the technical issues relating to molecular properties, and then gives a rather detailed but general development. The latter part of this chapter is mainly intended for those first encountering the methodologies of properties determination and intending to pursue further developments. The other chapters provide reviews of calculations in the literature and assessments of factors influencing accuracy.

The book is particularly useful to those who need a working understanding of ab initio calculations and well-suited to graduate students and researchers in computational and theoretical chemistry, researchers in electronic structure, spectroscopists and organic chemists


Язык: en

Рубрика: Химия/

Статус предметного указателя: Неизвестно

ed2k: ed2k stats

Год издания: 1988

Количество страниц: 275

Добавлена в каталог: 29.10.2009

Операции: Положить на полку | Скопировать ссылку для форума | Скопировать ID
blank
Предметный указатель
blank
Реклама
blank
blank
HR
@Mail.ru
       © Электронная библиотека попечительского совета мехмата МГУ, 2004-2017
Электронная библиотека мехмата МГУ | Valid HTML 4.01! | Valid CSS! О проекте