Structure and spectroscopy of propane and propene in the solid state from neutron powder diffraction and inelastic neutron scattering

Fortes, A.D.; Howard, C.M.; Parker, S.F.

doi:10.1107/S2052252526007797

Figure 15
Comparison of the INS spectra measured on TOSCA with those calculated from first principles with CASTEP and AbINS for (a) propene-H6 and (b) propene-D6 in both the P2₁2₁2₁ and $[I {\overline 4}]$ phases.

IUCrJ

Volume 13| Part 6| November 2026|

ISSN: 2052-2525

https://doi.org/10.1107/S2052252526007797

CHEMISTRY | CRYSTENG

Open

access