Article ID Journal Published Year Pages File Type
5393832 Computational and Theoretical Chemistry 2014 14 Pages PDF
Abstract

- The symmetric stretching transition structure is described qualitatively by MP2.
- The matrix-solvation equilibrium and transition structures modeled by MP2/IEF-PCM.
- The dissociation reaction barriers increase upon the noble gas matrix effect modeling.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Noble gas matrix effects on the symmetric stretching transition structure of the XNgY noble gas molecules: Theoretical understanding the noble gas matrix stabilizing effects
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