Browse Collection: Li4EPc_ELECTRIDE
https://iochem-bd.bsc.es/browse/handle/100/199251
Li4EPc_ELECTRIDE2024-03-28T23:18:42ZLi4EPc_optimized_structure
https://iochem-bd.bsc.es/browse/handle/100/199255
Title: Li4EPc_optimized_structure
Authors: Poddar, Arpita
Description: Coordinates of optimized structure of Li4EPc2021-09-23T09:08:56ZFrequency_calculation_for_Li4EPc
https://iochem-bd.bsc.es/browse/handle/100/199254
Title: Frequency_calculation_for_Li4EPc
Authors: Poddar, Arpita
Description: Due to HPC issue, the Li4EPc opt+freq job was not completed although the geometry was optimized properly. So, i have included only frequency calculation output file for Li4EPc here separately.2021-09-23T09:08:52ZLi4EPc-4H2_optimized_structure
https://iochem-bd.bsc.es/browse/handle/100/199253
Title: Li4EPc-4H2_optimized_structure
Authors: Poddar, Arpita
Description: Coordinates of the optimized structure of Li4EPc-4H22021-09-23T09:08:49ZLi4EPc-8H2_optimized_structure
https://iochem-bd.bsc.es/browse/handle/100/199252
Title: Li4EPc-8H2_optimized_structure
Authors: Poddar, Arpita
Description: Coordinates of the optimized structure of Li4EPc-8H22021-09-23T09:08:43Z