Документ взят из кэша поисковой машины. Адрес оригинального документа : http://lib.mexmat.ru/books/82939
Дата изменения: Unknown
Дата индексирования: Tue Apr 12 00:37:08 2016
Кодировка: Windows-1251
Lesczynski J. - Computational chemistry: reviews of current trends. Vollume 8 :: Электронная библиотека попечительского совета мехмата МГУ
 
Главная    Ex Libris    Книги    Журналы    Статьи    Серии    Каталог    Wanted    Загрузка    ХудЛит    Справка    Поиск по индексам    Поиск    Форум   
blank
blank
Поиск по указателям

blank
blank
blank
Красота
blank
Lesczynski J. - Computational chemistry: reviews of current trends. Vollume 8
Lesczynski J. - Computational chemistry: reviews of current trends. Vollume 8

Читать книгу
бесплатно

Скачать книгу с нашего сайта нельзя

Обсудите книгу на научном форуме



Нашли опечатку?
Выделите ее мышкой и нажмите Ctrl+Enter


Название: Computational chemistry: reviews of current trends. Vollume 8

Автор: Lesczynski J.

Аннотация:

The gap between experimental objects and models for calculations in chemistry is being bridged. The size of experimental nano-objects is decreasing, while reliable calculations are feasible for larger and larger molecular systems. The results of these calculations for isolated molecules are becoming more relevant for experiments. However, there are still significant challenges for computational methods. This series of books presents reviews of current advances in computational methodologies and applications.
Chapter 1 of this volume provides an overview of the theoretical and numerical aspects in the development of the polarizable continuum model (PCM). Chapter 2 demonstrates a multiplicative scheme used to estimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components. Chapter 3 discusses the application of ab initio methods for a reliable evaluation of the characteristics of hydrogen-bonded and van der Waals complexes. Ab initio quantum-chemical methods are popular among researchers investigating various aspects of DNA. The properties of DNA base polyads linked by base-base hydrogen bonds are reviewed in Chapter 4, while Chapter 5 reviews the primary radiation-induced defects in nucleic acid building blocks, and how DNA can be influenced by chemical and environmental effects. Finally, Chapter 6 discusses available experimental data of DNA bases, base pairs, and their complexes with water.


Язык: en

Рубрика: Химия/

Статус предметного указателя: Неизвестно

ed2k: ed2k stats

Год издания: 2004

Количество страниц: 361

Добавлена в каталог: 14.03.2011

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, 2004-2016
Электронная библиотека мехмата МГУ | Valid HTML 4.01! | Valid CSS! О проекте