Solvation of ions by dipolar aprotic solvents and water. A CNDO/2 study
1985 ◽
Vol 50
(11)
◽
pp. 2493-2508
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Keyword(s):
Solvation of Li+, Be2+, Na+, Mg2+, and Al3+ ions has been studied in binary mixtures with dimethyl sulphoxide, dimethylformamide, acetonitrile and water, and in ternary mixtures of the organic solvents with water. The CNDO/2 quantum chemical method was used to calculate the energies of solvation, molecular structures and charge distributions for the complexes acetonitrile...ion (1:1, 2:1, 4:1), dimethyl sulphoxide...ion (1:1), dimethylformamide...ion (1:1), and acetonitrile (dimethyl sulphoxide, dimethylformamide)...ion...water (1:1:1).
2015 ◽
Vol 15
(18)
◽
pp. 1845-1858
1987 ◽
Vol 52
(1)
◽
pp. 6-13
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Keyword(s):
Keyword(s):
2021 ◽
Vol 10
(4)
◽
pp. 489-502
◽
2018 ◽
Vol 1015
◽
pp. 032125
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Keyword(s):
Keyword(s):