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WINDAT - AN NMR DATABASE COMPILATION TOOL, USER-INTERFACE, AND SPECTRUM LIBRARIES FOR PERSONAL COMPUTERSстатья
Информация о цитировании статьи получена из
Web of Science
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 29 мая 2015 г.
- Авторы: TREPALIN S.V., YARKOV A.V., DOLMATOVA L.M., ZEFIROV N.S., FINCH S.A.E
- Журнал: Journal of Chemical Information and Modeling
- Том: 35
- Номер: 3
- Год издания: 1995
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 405
- Последняя страница: 411
- DOI: 10.1021/ci00025a008
- Аннотация: A fast, efficient program which runs on the ubiquitous personal computer for the analysis, storage, and retrieval of NMR information is presented. It is suitable for abstracting large quantities of data from published literature and includes many plausibility tests which are Executed simultaneously with the input. Automatic determination of stereoconfigurations in 2D structures; makes the program of great value for natural compounds. A structure elucidation system allows prediction chemical shifts and JJ coupling constants and automatic peak assignation. A database of 101 205 C-13, P-31, F-19, Si-29, N-15, B-11, O-17, and S-33 spectra, taken primarily from Russian-language original sources has been created.
- Добавил в систему: Зефиров Николай Серафимович