View dataDownload geometry
Files in This Item:
File Description Size 
control3,03 kBDownload
output.cml67,5 kBDownload


Title: /fe_acac2trien c2_2a_bp_d3_tzvp_acetone_opt
Authors: Mariusz, Radon
Jagiellonian University
Keywords: spin-state energetics;Spin crossover
Issue Date: 1-Feb-2019
Publisher: Jagiellonian University, Faculty of Chemistry
Description: Doublet (2A) optimized in COSMO acetone
Appears in Collections:benchmark2019

Please use this identifier to cite or link to this item:

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