Electronic structure and chemical bond nature in Cs2PuO2Cl4
نویسندگان
چکیده
منابع مشابه
Quantum chemical calculations of bond dissociation energies for COOH scission and electronic structure in some acids∗
Quantum chemical calculations are performed to investigate the equilibrium C–COOH bond distances and the bond dissociation energies (BDEs) for 15 acids. These compounds are studied by utilizing the hybrid density functional theory (DFT) (B3LYP, B3PW91, B3P86, PBE1PBE) and the complete basis set (CBS–Q) method in conjunction with the 6311G** basis as DFT methods have been found to have low basis...
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ژورنال
عنوان ژورنال: Nuclear Technology and Radiation Protection
سال: 2015
ISSN: 1451-3994,1452-8185
DOI: 10.2298/ntrp1502099t