کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9591372 | 1507019 | 2005 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Configurational and conformational analysis of some fully substituted imidazolidinic compounds: a theoretical study
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Configurational and conformational analysis of some fully substituted imidazolidinic compounds: a theoretical study Configurational and conformational analysis of some fully substituted imidazolidinic compounds: a theoretical study](/preview/png/9591372.png)
چکیده انگلیسی
Configurational and conformational analysis were performed using ab initio and semi-empirical molecular orbital methods in order to obtain structural, electronic and energetic information about three previously synthesized imidazolidine derivatives, namely: 3-benzyl-5-benzylidene-imidazolidine-2,4-dione (5), 3-benzyl-5-benzylidene-2-thioxo-imidazolidine-4-one (6), 5-benzylidene-3-(2-oxo-2-phenyl-ethyl)-2-thioxo-imidazolidine-4-one (7) and other two new proposed imidazolidine derivatives: 3-benzyl-5-benzylidene-4-thioxo-imidazolidine-2-one (8) and 3-benzyl-5-benzylidene-imidazolidine-2,4-dithione (9). Important aspects related to structure activity relationship are highlighted.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 715, Issues 1â3, 28 February 2005, Pages 191-198
Journal: Journal of Molecular Structure: THEOCHEM - Volume 715, Issues 1â3, 28 February 2005, Pages 191-198
نویسندگان
Marcus V.P. Santos, Mário R. Junior, Silvânia M. Oliveira, João Bosco P. da Silva, Maria Tereza C. Lima, Maria C.A. Lima, Suely L. Galdino, Ivan R. Pitta,