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/

Global: Zendy Plus annual

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

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Thermal energy gaps, ΔE s–t ; enthalpy gaps, ΔH s–t ; Gibbs free energy gaps, ΔG s–t , between singlet (s) and triplet (t) states of G–C 4 H 3 C (G = –NH 2 , –OH, –CH 3 , –F, –Cl, –Br, –H, –CF 3 , –NO 2 ) were calculated at B3LYP/6-311++G** level of theory. DFT calculations indicated that electron donating substituents (G = –NH 2 , –OH and –CH3) at α position cause to decrease ΔG s–t and electron withdrawing substituents (G = –F, –Cl, –Br, –CF 3 and –NO 2 ) lead to increase the ΔG s–t of G-C 4 H 3 C. Nuclear independent chemical shifts (NICS) calculations were carried out to determine the aromatic character. KEY WORDS : DFT calculations, Electronic effects, Singlet-triplet energies, Carbene, Five-membered, NICS Bull. Chem. Soc. Ethiop. 2009 , 23(1), 151-155.

bulletin of the chemical society of ethiopia

&lt;b&gt;ELECTRONIC EFFECTS AT &amp;alpha;-POSITION OF DIVALENT FIVE-MEMBERED RING CARBENES: SINGLET-TRIPLET ENERGIES THROUGH DFT CALCULATIONS&lt;/b&gt;