Two novel methods, the effective fragment potential (EFP) and the fragment molecular orbital (FMO) methods, have been combined to create an efficient and accurate new method, called the effective fragment molecular orbital (EFMO) method. All three methods are have been employed to study many properties of water, including water structure, the solvated electron, solvation of ions, and molecular dynamics properties. Many of these will be discussed.

Getting into, and out of, hot water

246th National Meeting (2013)

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