کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5414969 1506759 2012 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Multi-valued versus single-valued large-amplitude bending-torsional-rotational coordinate systems for simultaneously treating trans-bent and cis-bent acetylene in its S1 state
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Multi-valued versus single-valued large-amplitude bending-torsional-rotational coordinate systems for simultaneously treating trans-bent and cis-bent acetylene in its S1 state
چکیده انگلیسی
► Multiple-valued and single-valued coordinate systems are compared. ► Coordinate ranges are illustrated by portions of squares and cubes. ► Multiple-valued symmetry properties become single-valued boundary conditions. ► To avoid quasilinear complications, triatomic molecules are excluded from consideration.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 278, August 2012, Pages 41-51
نویسندگان
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