https://iochem-bd.bsc.es/browse/handle/100/199256 Metallo-Organic_Electride_Li4EPc Tue, 07 Apr 2026 15:20:20 GMT 2026-04-07T15:20:20Z https://iochem-bd.bsc.es/browse/handle/100/199260 Title: Optimized_structure_of_Li4EPc Authors: Poddar, Arpita Description: Coordinates of optimized geometry of Li4EPc (Geometry Optimization) Thu, 23 Sep 2021 15:47:18 GMT https://iochem-bd.bsc.es/browse/handle/100/199260 2021-09-23T15:47:18Z https://iochem-bd.bsc.es/browse/handle/100/199259 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. Thu, 23 Sep 2021 15:47:14 GMT https://iochem-bd.bsc.es/browse/handle/100/199259 2021-09-23T15:47:14Z https://iochem-bd.bsc.es/browse/handle/100/199258 Title: Optimized_structure_of_Li4EPc-4H2 Authors: Poddar, Arpita Description: Coordinates of optimized geometry of Li4EPc-4H2 (Geometry opt+freq calculation) Thu, 23 Sep 2021 15:47:11 GMT https://iochem-bd.bsc.es/browse/handle/100/199258 2021-09-23T15:47:11Z https://iochem-bd.bsc.es/browse/handle/100/199257 Title: Optimized_structure_of_Li4EPc-8H2 Authors: Poddar, Arpita Description: Coordinates of optimized geometry of Li4EPc-8H2 (Geometry opt + freq calculation) Thu, 23 Sep 2021 15:47:07 GMT https://iochem-bd.bsc.es/browse/handle/100/199257 2021-09-23T15:47:07Z