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| | | | | | Saddle point localization of molecular wavefunctions ▶ | | | | Georg Ch. Mellau, Alexandra A. Kyuberis, Oleg L. Polyansky et al. | | | |
The quantum mechanical description of isomerization is based on bound eigenstates of the molecular potential energy surface. For the near-minimum regions there is a … | | | | | |
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