Browse Collection: Supporting information for Quantum Chemical Calculations Supporting information for Quantum Chemical Calculations https://iochem-bd.bsc.es/browse/handle/100/304514 2026-04-07T23:06:33Z 2026-04-07T23:06:33Z Bare-Fw Vlaisavljevich, Bess https://iochem-bd.bsc.es/browse/handle/100/304590 2023-06-21T01:20:13Z 2023-06-21T03:13:05Z Title: Bare-Fw Authors: Vlaisavljevich, Bess Description: Optimization of the Cu-TDPAT MOF 2023-06-21T03:13:05Z CO2 Vlaisavljevich, Bess https://iochem-bd.bsc.es/browse/handle/100/304589 2023-06-21T01:20:13Z 2023-06-21T03:13:02Z Title: CO2 Authors: Vlaisavljevich, Bess Description: CO2 as a reactant 2023-06-21T03:13:02Z water Vlaisavljevich, Bess https://iochem-bd.bsc.es/browse/handle/100/304588 2023-06-21T01:20:13Z 2023-06-21T03:12:56Z Title: water Authors: Vlaisavljevich, Bess Description: Water as a reactant 2023-06-21T03:12:56Z RFW-CMS1-CO2-opt Vlaisavljevich, Bess https://iochem-bd.bsc.es/browse/handle/100/304587 2023-06-21T01:20:13Z 2023-06-21T03:12:50Z Title: RFW-CMS1-CO2-opt Authors: Vlaisavljevich, Bess Description: Optimization of CO2 in CMS1 with a rigid framework 2023-06-21T03:12:50Z