Browse Collection: Metallo-Organic_Electride_Li4EPc Metallo-Organic_Electride_Li4EPc https://iochem-bd.bsc.es/browse/handle/100/199256 2026-04-07T15:20:10Z 2026-04-07T15:20:10Z Optimized_structure_of_Li4EPc Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199260 2021-09-23T13:48:57Z 2021-09-23T15:47:18Z Title: Optimized_structure_of_Li4EPc Authors: Poddar, Arpita Description: Coordinates of optimized geometry of Li4EPc (Geometry Optimization) 2021-09-23T15:47:18Z Frequency_calculation_for_optimized_Li4EPc Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199259 2021-09-23T13:48:57Z 2021-09-23T15:47:14Z Title: Frequency_calculation_for_optimized_Li4EPc Authors: Poddar, Arpita Description: Due to HPC maintenance issue, the opt+freq job for Li4EPc was not completed although geometry optimization for Li4EPc was completed properly. So i have attached frequency calculation file for Li4EPc separately. 2021-09-23T15:47:14Z Optimized_structure_of_Li4EPc-4H2 Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199258 2021-09-23T13:48:57Z 2021-09-23T15:47:11Z Title: Optimized_structure_of_Li4EPc-4H2 Authors: Poddar, Arpita Description: Coordinates of optimized geometry of Li4EPc-4H2 (Geometry opt+freq calculation) 2021-09-23T15:47:11Z Optimized_structure_of_Li4EPc-8H2 Poddar, Arpita https://iochem-bd.bsc.es/browse/handle/100/199257 2021-09-23T13:48:57Z 2021-09-23T15:47:07Z Title: Optimized_structure_of_Li4EPc-8H2 Authors: Poddar, Arpita Description: Coordinates of optimized geometry of Li4EPc-8H2 (Geometry opt + freq calculation) 2021-09-23T15:47:07Z