Russian Journal of Inorganic Chemistry, Tập 47,Số phát hành 1-4British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2002 |
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Trang 82
... frequencies in IR spectra are listed in Table 3. It shows that the thioamide II , III , and V frequencies in the spec- tra of cobalt ( III ) dithiocarbamates and their complexes with iodine are roughly the same , whereas bands I and IV ...
... frequencies in IR spectra are listed in Table 3. It shows that the thioamide II , III , and V frequencies in the spec- tra of cobalt ( III ) dithiocarbamates and their complexes with iodine are roughly the same , whereas bands I and IV ...
Trang 232
... frequencies , in cm- ' ; and zero - point energies , in kcal / mol . Table 2. Equilibrium geometric parameters , vibrational frequencies , and. a Molecule Method LiO2 NaO2 HF B3LYP HF B3LYP HF B3LYP HF B3LYP Exp . Basis set 6-311 + G ...
... frequencies , in cm- ' ; and zero - point energies , in kcal / mol . Table 2. Equilibrium geometric parameters , vibrational frequencies , and. a Molecule Method LiO2 NaO2 HF B3LYP HF B3LYP HF B3LYP HF B3LYP Exp . Basis set 6-311 + G ...
Trang 236
... frequencies v by 30-100 cm - 1 , produc- ing an effect similar to the inclusion of electron corre- lation corrections . As a result of this effective error compensation , HF - ECP / SDD calculations reproduce experimental frequencies v ...
... frequencies v by 30-100 cm - 1 , produc- ing an effect similar to the inclusion of electron corre- lation corrections . As a result of this effective error compensation , HF - ECP / SDD calculations reproduce experimental frequencies v ...
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Vol 47 No 1 | 6 |
Crystallization Features of Amorphous Tantalum Pentoxide under Atmospheric and HTANFORD UNIVERSITY | 11 |
Coordination Compounds | 19 |
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