Browse Collection: Form_NAD https://iochem-bd.bsc.es/browse/handle/100/305668 Form_NAD 2026-04-08T04:45:58Z Constrained_optimisation_of_RS7 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) 2023-09-01T09:38:13Z Constrained_optimisation_of_RS8 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) 2023-09-01T09:38:09Z Constrained_optimisation_of_TS(RS35) 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) 2023-09-01T09:38:06Z Constrained_optimisation_of_PS 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) 2023-09-01T09:38:03Z