The importance and utility of fragmentation methods for providing accurate calculations on large molecules is discussed, with particular emphasis on the effective fragment potential (EFP), fragment molecular orbital (FMO) and effective fragment molecular orbital (EFMO) methods. The EFMO method is a seamless integration of EFP and FMO, which is both faster and more accurate than the most commonly used FMO implementation. Following an overview of the methods, interesting applications will be discussed.

Fragmentation without consternation

248th National Meeting (2014)

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