TY - JOUR
T1 - Effect of polarizability of halide anions on the ionic solvation in water clusters
AU - Yoo, S.
AU - Lei, Y. A.
AU - Zeng, X. C.
N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].
PY - 2003/9/22
Y1 - 2003/9/22
N2 - Effect of polarizability of halide anions on the ionic solvation in water solvation was investigated. Various combinations of polarizable/nonpolarizable water and anion models were considered. it was found that the free energy change is on the order of 1 kcal/mol, indicating that the Cl- can easily access the surface region of the Dang-Chang water slab.
AB - Effect of polarizability of halide anions on the ionic solvation in water solvation was investigated. Various combinations of polarizable/nonpolarizable water and anion models were considered. it was found that the free energy change is on the order of 1 kcal/mol, indicating that the Cl- can easily access the surface region of the Dang-Chang water slab.
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U2 - 10.1063/1.1601609
DO - 10.1063/1.1601609
M3 - RGC 21 - Publication in refereed journal
SN - 0021-9606
VL - 119
SP - 6083
EP - 6091
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 12
ER -