SciCombinator

Discover the most talked about and latest scientific content & concepts.

Abstract
The rotational constants of s-trans and s-cis methyl methacrylate and methacrylic acid are determined from microwave spectra. All singly substituted heavy-atom isotopologs of the four species are measured in natural abundance. The experimental rotational constants are combined with anharmonic vibrational corrections using the Coulomb-attenuating method, Becke, three-parameter, Lee-Yang-Parr density functional with Grimme’s D3 dispersion corrections and the Becke-Johnson damping function, yielding precise semi-experimental equilibrium rotational constants. These constants are used to determine semi-experimental equilibrium structures with sub-picometer accuracy, suitable for benchmarking purposes.
Tweets*
0
Facebook likes*
0
Reddit*
0
News coverage*
0
Blogs*
0
SC clicks
0
Concepts
-
MeSH headings
-
comments powered by Disqus

* Data courtesy of Altmetric.com