Ab initio studies of two pyrimidine derivatives as possible photo-switch systems
نویسندگان
چکیده
منابع مشابه
Synthesis and Ab Initio Study of Pyrano[2,3-d]pyrimidine Derivatives
Tetrahydrobenzo[b]pyran derivatives 1 were utilized for the synthesis of several new pyrano[2,3-d]pyrimidine derivatives 2. Compound 2 was obtained in the presence of Ac2O/H2SO4 (as a catalyst) and was confirmed by spectroscopic data such as IR, 1H NMR and 13C NMR. Ab initio calculation was carried out to study geometric optimization, t...
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ژورنال
عنوان ژورنال: Open Physics
سال: 2013
ISSN: 2391-5471
DOI: 10.2478/s11534-013-0174-8