Skip to Main content Skip to Navigation
Journal articles

Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal

Complete list of metadata

Cited literature [120 references]  Display  Hide  Download

https://hal.univ-lorraine.fr/hal-02488688
Contributor : Alessandro Genoni <>
Submitted on : Thursday, May 28, 2020 - 5:03:43 PM
Last modification on : Monday, December 14, 2020 - 5:32:15 PM

File

Correlated_HAR_Jan24_2020.pdf
Files produced by the author(s)

Identifiers

Collections

Citation

Erna Wieduwilt, Giovanni Macetti, Lorraine Malaspina, Dylan Jayatilaka, Simon Grabowsky, et al.. Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal. Journal of Molecular Structure, Elsevier, 2020, pp.127934. ⟨10.1016/j.molstruc.2020.127934⟩. ⟨hal-02488688⟩

Share

Metrics

Record views

122

Files downloads

139