17O NMR parameters of some substituted benzyl ethers components: Ab initio study
نویسندگان
چکیده
منابع مشابه
Ab initio study , Investigation of NMR ShieldingTensors and Vibrational frequency of 5-S-cysteinyldopamine
The interaction of dopamine and cysteine for formation of 5-S-cysteinyldopamine are investigated at theHartree-Fock level theory. The structural and vibrational properties of 5-S-cysteinyldopamine are studiedat level of HF/6-31G*.Interaction energy ( AE) is calculated -771.6923 Kcal/mol Rotational energy andthermodynamic parameters around two bond have been determined using HF/3-21G. Changes of...
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ژورنال
عنوان ژورنال: Arabian Journal of Chemistry
سال: 2016
ISSN: 1878-5352
DOI: 10.1016/j.arabjc.2011.03.014