TY  - JOUR
AU  - de Lucas, Marcos
AU  - Blázquez Fernández, Samuel
AU  - Troncoso, Jacobo
AU  - Vega De Las Heras, Carlos
AU  - Gámez Márquez, Francisco De Asis
PY  - 2024
DO  - 10.1021/acs.jpclett.4c02261
UR  - https://hdl.handle.net/20.500.14352/109625
T2  - Journal of Physical Chemistry Letters
AB  - We present a rigid model for the OH- ion parametrized for binary mixtures with TIP4P/2005-type water molecules. Li+, Na+ and K+ were selected as counterions, hence mimicking the important and widely used solutions of soluble alkaline hydroxides. The...
LA  - eng
M2  - 9411
TI  - Dressing a nonpolarizableforce field for OH− in TIP4P/2005  aqueous solutions with corrected hirshfeld charge
TY  - journal article
VL  - 15
ER  -