Browse Collection: Li4EPc_ELECTRIDE Li4EPc_ELECTRIDE https://iochem-bd.bsc.es/browse/handle/100/199251 2026-04-08T01:32:44Z 2026-04-08T01:32:44Z Li4EPc_optimized_structure Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199255 2021-09-23T07:08:59Z 2021-09-23T09:08:56Z Title: Li4EPc_optimized_structure Authors: Poddar, Arpita Description: Coordinates of optimized structure of Li4EPc 2021-09-23T09:08:56Z Frequency_calculation_for_Li4EPc Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199254 2021-09-23T07:08:54Z 2021-09-23T09:08:52Z 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. 2021-09-23T09:08:52Z Li4EPc-4H2_optimized_structure Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199253 2021-09-23T07:08:51Z 2021-09-23T09:08:49Z Title: Li4EPc-4H2_optimized_structure Authors: Poddar, Arpita Description: Coordinates of the optimized structure of Li4EPc-4H2 2021-09-23T09:08:49Z Li4EPc-8H2_optimized_structure Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199252 2021-09-23T07:08:46Z 2021-09-23T09:08:43Z Title: Li4EPc-8H2_optimized_structure Authors: Poddar, Arpita Description: Coordinates of the optimized structure of Li4EPc-8H2 2021-09-23T09:08:43Z