https://iochem-bd.bsc.es/browse/handle/100/494648 np-alkyls 2026-07-31T11:39:35Z https://iochem-bd.bsc.es/browse/handle/100/495360 Title: /angle-scan 105-nbo Authors: O'Leary, Cara; Vlaisavljevich, Bess Abstract: nbo 2026-06-17T21:40:48Z https://iochem-bd.bsc.es/browse/handle/100/495359 Title: /angle-scan 105-opt Authors: O'Leary, Cara; Vlaisavljevich, Bess Abstract: 105 2026-06-17T21:40:48Z https://iochem-bd.bsc.es/browse/handle/100/495358 Title: /angle-scan pbe-d3-relax-nbo Authors: O'Leary, Cara; Vlaisavljevich, Bess Abstract: ams singlepoint on tmol PBE-D3 geometry from functional test (``np-alkyls/functional-test/NpBn/PBE-D3``) 2026-06-17T21:40:48Z https://iochem-bd.bsc.es/browse/handle/100/495357 Title: /functional-test/CeBn M06-L Authors: O'Leary, Cara; Vlaisavljevich, Bess Abstract: m06l 2026-06-17T21:40:16Z