The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations

Autor: Monica De simone, Nykola C. Jones, Cesare Grazioli, Michael Palmer, Marcello Coreno, Dheirya Sonecha, Søren Vrønning Hoffmann, Alan Aitken

Publikováno v: Palmer, M H, Coreno, M, De Simone, M, Grazioli, C, Jones, N C, Hoffmann, S V, Aitken, R A & Sonecha, D K 2023, ' The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations ', The Journal of Chemical Physics, vol. 158, no. 1, 014304 . https://doi.org/10.1063/5.0128764

A synchrotron-based photoionization spectrum up to 27 eV represents a considerable improvement in resolution over early He(I) and He(II) spectra. Symmetry-adapted coupled cluster calculations of the ionic state sequence give the sequence of state ver

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2462a324896e9de1d37a95dbb87593b
https://pubmed.ncbi.nlm.nih.gov/36610975

Solid State Structure and Hydrogen Bonding of Some Cyclic NH Carboximides

Autor: Alex Ajbn1, Dheirya Sonecha, Alexandra Slawin, Alan Aitken

Publikováno v: Crystals; Volume 13; Issue 1; Pages: 150

Thirteen new crystal structures of cyclic NH carboximides have been determined and are compared with respect to the mode of intermolecular hydrogen bonding observed in the crystal. The structures include a new cyclobutane-fused succinimide, seven new

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9917db4bf3269780a5b2fc43ea4f9692
https://doi.org/10.3390/cryst13010150