Electron charge density and topological analysis of coumarin dye
نویسندگان
چکیده
منابع مشابه
Topological Analysis of Theoretical Charge Density of Alkali Metal Cations (LC, Na+, le)ICrown Ether (18e6) Complexes
The DO1(18c6)fi (MwLi. Na. K and I 8c6=18-crown-6) complexes have been chosen as the model systems toinvestigate the nature of chemical bonds between alkali metal cations and large mffitidentaie orgmnic ligands.The B3LYP/6-3I+G(d,p) level of calculation has been used for obtaining equilibrium geernetnes and p(r)functions (electron density distributions). By the aid of fundamental physical theor...
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متن کاملtopological analysis of theoretical charge density of alkali metal cations (lc, na+, le)icrown ether (18e6) complexes
the do1(18c6)fi (mwli. na. k and i 8c6=18-crown-6) complexes have been chosen as the model systems toinvestigate the nature of chemical bonds between alkali metal cations and large mffitidentaie orgmnic ligands.the b3lyp/6-3i+g(d,p) level of calculation has been used for obtaining equilibrium geernetnes and p(r)functions (electron density distributions). by the aid of fundamental physical theor...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2010
ISSN: 0108-7673
DOI: 10.1107/s0108767310093517