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

Development of a “First Principles” Water Potential with Flexible

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

Modeling Molecular Interactions in Water: From Pairwise to Many

Intrinsically disordered protein's coil-to-globule transition and

Development of a “First Principles” Water Potential with Flexible

Torsional Tunneling Splitting in a Water Trimer

Development of a “First Principles” Water Potential with Flexible

First-Principles Many-Body Nonadditive Polarization Energies from

Second virial coefficient for water with the TTM2–R, ASP, and ASP