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"Calculation of wave-functions with frozen orbitals in mixed quantum ..."

György G. Ferenczy (2013)

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DOI: 10.1002/JCC.23210

access: closed

type: Journal Article

metadata version: 2020-04-01

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György G. Ferenczy:
Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation. J. Comput. Chem. 34(10): 854-861 (2013)

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