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    Methods for calculating the free energy of atomic clusters 

    Amon, Lynn, 1970- (2000)
    We have extended the finite-time variational method for calculating free energy differences, DeltaA, to atomic clusters. The main obstacle in calculating DeltaA for finite systems is finding a suitable reference state. We present an optimal reference state for liquid clusters as well as one for solid clusters. Thus, the free ...

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    Author
    Amon, Lynn, 1970- (1)
    Subject
    Theses--Chemistry (1)
    ... View MoreDate Issued2000 (1)

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