https://iochem-bd.bsc.es/browse/handle/100/305668 Form_NAD Wed, 08 Apr 2026 01:33:15 GMT 2026-04-08T01:33:15Z https://iochem-bd.bsc.es/browse/handle/100/305681 Title: Constrained_optimisation_of_RS7 Authors: Novotny, Jan Description: gaussian input and original pdb straucture of parent snapshot of QM/MM simulation (source: "D. J. Major, personal communication) Fri, 01 Sep 2023 09:38:13 GMT https://iochem-bd.bsc.es/browse/handle/100/305681 2023-09-01T09:38:13Z https://iochem-bd.bsc.es/browse/handle/100/305680 Title: Constrained_optimisation_of_RS8 Authors: Novotny, Jan Description: gaussian input and original pdb straucture of parent snapshot of QM/MM simulation (source: "D. J. Major, personal communication) Fri, 01 Sep 2023 09:38:09 GMT https://iochem-bd.bsc.es/browse/handle/100/305680 2023-09-01T09:38:09Z https://iochem-bd.bsc.es/browse/handle/100/305679 Title: Constrained_optimisation_of_TS(RS35) Authors: Novotny, Jan Description: Gaussian input and original pdb straucture of parent snapshot of QM/MM simulation (source: "D. J. Major, personal communication) Fri, 01 Sep 2023 09:38:06 GMT https://iochem-bd.bsc.es/browse/handle/100/305679 2023-09-01T09:38:06Z https://iochem-bd.bsc.es/browse/handle/100/305678 Title: Constrained_optimisation_of_PS Authors: Novotny, Jan Description: Gaussian input and original pdb straucture of parent snapshot of QM/MM simulation (source: "D. J. Major, personal communication) Fri, 01 Sep 2023 09:38:03 GMT https://iochem-bd.bsc.es/browse/handle/100/305678 2023-09-01T09:38:03Z