Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
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Descrição
Realistic phase diagram of water from “first principles” data
Extending density functional theory with near chemical accuracy
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Development of a “First Principles” Water Potential with Flexible
Shape of the potential energy surface Contour plots [cm⁻¹] of the
An extensive assessment of the performance of pairwise and many
Torsional Tunneling Splitting in a Water Trimer
Thermodynamics of Water and Ice from a Fast and Scalable First
Calculated phonon density of states spectrum of ice Ih in the
Table 2 from Toward Chemical Accuracy in the Description of Ion
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