ROP of R-manOCA: DFT study


Buchard, A., 2013. ROP of R-manOCA: DFT study. figshare. https://doi.org/10.6084/m9.figshare.786543.


Original data publication URL: http://dx.doi.org/10.6084/m9.figshare.786543

Dataset abstract

ROP of R-manOCA: DFT study Protocol:ωB97XD/6-31++G(d,p)/SCRF=(cpcm,solvent=chloroform) Gaussian09 rev A.02 output file

Title: ROP of R-manOCA: DFT study
Subjects: Catalysis and surfaces > Catalysis and Applied Catalysis
Chemical measurement > Chemical Structure
Chemical synthesis > Asymmetric Chemistry
Materials sciences > Biomaterials
Materials sciences > Materials Characterisation
Materials sciences > Materials Synthesis and Growth
Departments: Faculty of Science > Chemistry
DOI: https://doi.org/10.6084/m9.figshare.786543
URI: http://researchdata.bath.ac.uk/id/eprint/107
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