1985•Journal of Molecular Structure THEOCHEMRequires access

Fragment interaction analysis in the framework of ab initio UHF MO computations

Fernando Bernardi, Andréa Bottoni, Jacques Fossey, Jeanine Sorba

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Key concepts: Fragment molecular orbital, Ab initio, Molecular orbital, Computational chemistry, Chemistry, Ultra high frequency, Computation, Fragment (logic)

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Fragment interaction analysis in the framework of ab initio UHF MO computations — Research Paper | ScholarLens