Browse Collection: Supporting information for Quantum Chemical Calculations https://iochem-bd.bsc.es/browse/handle/100/304514 Supporting information for Quantum Chemical Calculations 2026-04-08T02:17:57Z Bare-Fw https://iochem-bd.bsc.es/browse/handle/100/304590 Title: Bare-Fw Authors: Vlaisavljevich, Bess Description: Optimization of the Cu-TDPAT MOF 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 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 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 2023-06-21T03:12:50Z