کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1404462 | 1501910 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The structures of monensin A derivatives and its complexes with some monovalent cations studied by the AM1d, PM3 as well as PM5 semiempirical methods
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: The structures of monensin A derivatives and its complexes with some monovalent cations studied by the AM1d, PM3 as well as PM5 semiempirical methods The structures of monensin A derivatives and its complexes with some monovalent cations studied by the AM1d, PM3 as well as PM5 semiempirical methods](/preview/png/1404462.png)
چکیده انگلیسی
The structures and the crystallographic data for monensin and its complexes with Na+, K+ and Ag+ cations have been compared with the parameters calculated by the PM5, PM3 and AM1d semiempirical methods. It is demonstrated that the PM5 calculations are effective for the visualisation of the probable structures of supramolecular species and generate very reliable structural parameters. Only for the complexes of monensin with silver cations the AM1d semiempirical method seems to be more effective than the PM5 and PM3 methods. The most energetically probable structures of monensin hydrates as well as monensin complexes with Na+, K+ and Ag+ cations are visualised.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 826, Issues 2â3, 29 January 2007, Pages 156-164
Journal: Journal of Molecular Structure - Volume 826, Issues 2â3, 29 January 2007, Pages 156-164
نویسندگان
Piotr Przybylski, Adam HuczyÅski, Bogumil Brzezinski,