Article ID Journal Published Year Pages File Type
5381713 Chemical Physics Letters 2013 18 Pages PDF
Abstract

- CCSD(T) computations have been employed to obtain accurate characteristics of (H2CO)2.
- Both dimers exhibit CO bond elongation and C-H bond shrinking compared to H2CO.
- Dimer I has been found to be the global-minimum structure.
- Dimer II lies 0.3-0.4 kcal/mol higher in energy than dimer I at 0 K.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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