Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
blyp_s_c6I6.wfxDownload
blyp_s_c6I6.comDownload
output.cmlDownload

Metadata:

Title: s_C6I6+2_BLYP
Authors: Escayola, Silvia
Keywords: Aromaticity
Halogens
Issue Date: 17-Aug-2022
Publisher: Uppsala University
Universitat de Girona
Donostia International Physics Center
Description: singlet state of iodobenzene dication optimized at BLYP/6-311+G(d,p) level of theory
URI: https://iochem.udg.edu:8443/browse/handle/100/3740
Appears in Collections:Double_Aromaticity - DOI: 10.19061/iochem-bd-4-43



Please use this identifier to cite or link to this item: https://iochem.udg.edu:8443/browse/handle/100/3740

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License