2009
DOI: 10.1016/s0898-8838(09)00209-8
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Ligand exchange processes on the smallest solvated alkali and alkaline earth metal cations: An experimental and theoretical approach

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Cited by 28 publications
(12 citation statements)
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“…We noted this in previous work [62] and indeed, the barriers computed at MP2 are lower than the values calculated using commonly employed density functional methods. .4 MP2/6-311+G**//B3LYP/6-311+G** 9.2 5.9 MP2(full)/6-311+G**//B3LYP/6-311+G** 9.3 5.9 MP4SDQ/6-311+G**//B3LYP/6-311+G** 9.0 7.5 CCSD/6-311+G**//B3LYP/6-311+G** 8.…”
Section: Resultssupporting
confidence: 54%
“…We noted this in previous work [62] and indeed, the barriers computed at MP2 are lower than the values calculated using commonly employed density functional methods. .4 MP2/6-311+G**//B3LYP/6-311+G** 9.2 5.9 MP2(full)/6-311+G**//B3LYP/6-311+G** 9.3 5.9 MP4SDQ/6-311+G**//B3LYP/6-311+G** 9.0 7.5 CCSD/6-311+G**//B3LYP/6-311+G** 8.…”
Section: Resultssupporting
confidence: 54%
“…Research carried out 2 on tetracoordinated complexes, for example, has provided further knowledge of the structural diversity of beryllium complexes. The possible coordination numbers of beryllium have also recently been clarified 3,4 and mechanistic studies are underway to elucidate solvent-exchange processes 5,6 .…”
mentioning
confidence: 99%
“…A key area of interest is the solvation of the beryllium ion and its interaction with counterions in its salt solutions. [5][6][7][8] Generally, it has been observed that the actual environment of the beryllium ion in aqueous solution involves fluctuating arrangements of hydration spheres and counterions especially in the presence of anions such as fluoride and sulfate. [9][10][11] This information is of high importance in view of the recently proposed toxicity route to beryllium sensitization involving an accompanying ion.…”
Section: Introductionmentioning
confidence: 99%