MB-pol

References

• G.R. Medders, V. Babin, and F. Paesani, " A critical assessment of two-body and three-body interactions in water" J. Chem. Theory Comput. 9, 1103–1114 (2013)
• V. Babin, C. Leforestier, and F. Paesani, " Development of a “first principles" water potential with flexible monomers: Dimer potential energy surface, VRT spectrum, and second virial coefficient" J. Chem. Theory Comput. 9, 5395–5403 (2013)
• V. Babin, G.R. Medders, and F. Paesani, " Development of a “first principles" water potential with flexible monomers. II: Trimer potential energy surface, third virial coefficient, and small clusters" J. Chem. Theory Comput. 10, 1599–1607 (2014)
• G.R. Medders, V. Babin, and F. Paesani, " Development of a “first principles" water potential with flexible monomers. III: Liquid phase properties" J. Chem. Theory Comput. 10, 2906–2910 (2014)
• G.R. Medders, and F. Paesani, " Infrared and Raman spectroscopy of liquid water through “first principles" many-body molecular dynamics" J. Chem. Theory Comput. 11, 1145–1154 (2015)