Primary and secondary isotope effect on tunnelling in malonaldehyde using a quantum mechanical scheme
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DOI: 10.1080/00268976.2017.1317371
Abstract: ABSTRACT Primary and secondary isotope effect on tunnelling in malonaldehyde is investigated with reduced-dimensional quantum mechanical models in the saddle-point normal coordinates, where the Hamiltonian takes the imaginary-frequency normal model as the reaction coordinate and… read more here.
Keywords: malonaldehyde; effect tunnelling; secondary isotope; isotope effect ... See more keywords