Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions - Archive ouverte HAL Access content directly
Journal Articles Journal of Physical Chemistry Letters Year : 2020

Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions

Fichier principal
Vignette du fichier
Embedded-HAR_December15.pdf (1.86 Mo) Télécharger le fichier
Origin : Files produced by the author(s)

Dates and versions

hal-03089861 , version 1 (28-12-2020)

Identifiers

Cite

Erna K Wieduwilt, Giovanni Macetti, Alessandro Genoni. Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions. Journal of Physical Chemistry Letters, 2020, 12, pp.463-471. ⟨10.1021/acs.jpclett.0c03421⟩. ⟨hal-03089861⟩
18 View
63 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More