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51V NMR Chemical Shifts Calculated from QM/MM Models of Peroxo Forms of Vanadium Haloperoxidases
Download from research-repository.st-andrews.ac.ukAssessment of semiempirical methods for the photoisomerisation of a protonated Schiff base
Download from link.springer.comReductive half-reaction of aldehyde oxidoreductase toward acetaldehyde : a combined QM/MM study
Download from www.researchgate.netAn ab initio calculation of the vibrational energies and transition moments of HSOH
Download from www.researchgate.netPH3 revisited: Theoretical transition moments for the vibrational transitions below
Download from www.researchgate.netTheoretical rotation-torsion energies of HSOH
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