Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

Full article: Chemical accuracy in modeling halide ion hydration

Development of a “First Principles” Water Potential with Flexible

PDF) Development of a “First Principles” Water Potential with

PDF) Development of a “First Principles” Water Potential with

Water: Many-Body Potential from First Principles (From the Gas to

a) g(ROO), (b) g(ROH) and (c) g(RHH), for VRT(MCY-5r/pol), in

Molecules, Free Full-Text

Table 2 from Toward Chemical Accuracy in the Description of Ion

Table 2 from Toward Chemical Accuracy in the Description of Ion

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An extensive assessment of the performance of pairwise and many

Signature properties of water: Their molecular electronic origins