Browse Collection: Chall_Opp_MLIPs_Het_Cat
https://iochem-bd.iciq.es/browse/handle/100/114360
Chall_Opp_MLIPs_Het_Cat
2026-06-04T04:04:35Z
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/RPBE/gas-phase CO(gas)
https://iochem-bd.iciq.es/browse/handle/100/114475
Title: /RPBE/gas-phase CO(gas)
Authors: Loveday, Oliver
Abstract: DFT results for gas-phase CO at RPBE level.
2026-02-16T17:44:14Z
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/RPBE/gas-phase H2(gas)
https://iochem-bd.iciq.es/browse/handle/100/114476
Title: /RPBE/gas-phase H2(gas)
Authors: Loveday, Oliver
Abstract: DFT results for gas-phase H2 at RPBE level.
2026-02-16T17:44:14Z
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/RPBE/gas-phase H2O(gas)
https://iochem-bd.iciq.es/browse/handle/100/114477
Title: /RPBE/gas-phase H2O(gas)
Authors: Loveday, Oliver
Abstract: DFT results for gas-phase H2O at RPBE level.
2026-02-16T17:44:14Z
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/RPBE/gas-phase CO2(gas)
https://iochem-bd.iciq.es/browse/handle/100/114474
Title: /RPBE/gas-phase CO2(gas)
Authors: Loveday, Oliver
Abstract: DFT results for gas-phase CO2 at RPBE level.
2026-02-16T17:44:14Z