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. 2024 Feb 23;26(10):8141–8147. doi: 10.1039/d4cp00297k

Temperature dependence of results for liquid TIP4P watera.

Temp (C) ΔGaq ΔHvap Density
15 −6.402 10.788 1.00822
20 −6.294 10.719 1.00567
25 −6.190 10.654 1.00294
30 −6.206 10.582 0.99960
35 −6.080 10.515 0.99722
40 −5.933 10.451 0.99329
45 −5.945 10.387 0.98915
a

Energies in kcal mol−1; density in g cm−3. Pressure is 1 atm.