A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives

Stefan Dapprich, István Komáromi, K. Suzie Byun, Keiji Morokuma, Michael J. Frisch

Journal of Molecular Structure THEOCHEM · 1999 · 2.1K citations · 48 references

Concepts

References

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