English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

The ground and very low-lying excited states of new Mg2C and Mg3C molecules have been studied using high-level ab initio techniques. Four structures of Mg2C, (C2v, 1A1), (C2v, 3B1), (D∞h, 3∑g-), and (D∞h, 5∑u-), were found to lie within 4 kcal/mol (at QCISD(T)/6-311+G(2df)) of one another. A C3v (1A1) structure was found to be the only low-energy structure for Mg3C. Both Mg2C and Mg3C were found to be thermodynamically stable with respect to all dissociation channels. Dissociation energies are found to be, for Mg2C (C2v, 1A1) → MgC (3∑-) + Mg (1S), 24.6 kcal/mol and, for Mg3C (C3v, 1A1) → Mg2C (C2v, 1A1) + Mg (1S), 41 kcal/mol at the QCISD(T)/6-311+G(2df)+ZPE level.

Ab Initio Predictions of New Carbon Hypermagnesium Species: Mg2C and Mg3C

Ab Initio Predictions of New Carbon Hypermagnesium Species: Mg₂C and Mg₃C