Remarks on X-ray constrained/restrained wavefunction fitting

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Bürgi, Hans-Beat [1 ,2 ]
Genoni, Alessandro [3 ]
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[1] Department of Chemistry Biochemistry and Pharmacy, University of Berne, Freiestr. 12, Bern,CH-3012, Switzerland
[2] Department of Chemistry, University of Zurich, Winterthurerstr. 190, Zürich,CH-8057, Switzerland
[3] Université De Lorraine, CNRSLaboratoire De Physique Et Chimie Théoriques, 1 Boulevard Arago, Metz,57050, France
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页码:298 / 304
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