Browse Collection: Supporting information for Quantum Chemical Calculations https://iochem-bd.bsc.es/browse/handle/100/304514 Supporting information for Quantum Chemical Calculations Tue, 07 Apr 2026 23:06:41 GMT 2026-04-07T23:06:41Z Bare-Fw https://iochem-bd.bsc.es/browse/handle/100/304590 Title: Bare-Fw Authors: Vlaisavljevich, Bess Description: Optimization of the Cu-TDPAT MOF Wed, 21 Jun 2023 03:13:05 GMT https://iochem-bd.bsc.es/browse/handle/100/304590 2023-06-21T03:13:05Z CO2 https://iochem-bd.bsc.es/browse/handle/100/304589 Title: CO2 Authors: Vlaisavljevich, Bess Description: CO2 as a reactant Wed, 21 Jun 2023 03:13:02 GMT https://iochem-bd.bsc.es/browse/handle/100/304589 2023-06-21T03:13:02Z water https://iochem-bd.bsc.es/browse/handle/100/304588 Title: water Authors: Vlaisavljevich, Bess Description: Water as a reactant Wed, 21 Jun 2023 03:12:56 GMT https://iochem-bd.bsc.es/browse/handle/100/304588 2023-06-21T03:12:56Z RFW-CMS1-CO2-opt https://iochem-bd.bsc.es/browse/handle/100/304587 Title: RFW-CMS1-CO2-opt Authors: Vlaisavljevich, Bess Description: Optimization of CO2 in CMS1 with a rigid framework Wed, 21 Jun 2023 03:12:50 GMT https://iochem-bd.bsc.es/browse/handle/100/304587 2023-06-21T03:12:50Z