Heats of formation for the azine series: A Gaussian-3 study
Applying the Gaussian-3 (G3) model and its variant G3(MP2), and using the atomization scheme, the heats of formation (∆Hf) at 0 K and 298 K have been calculated for twelve monocyclic azines with the general formula Nn(CH)6-n n = 1, 2,…, 6. Upon comparing the calculated results with available experim...
Main Authors: | Cheng Mei-Fun, Ho H.O., Lam C.S., Li W.K. |
---|---|
Format: | Article |
Language: | English |
Published: |
Serbian Chemical Society
2002-01-01
|
Series: | Journal of the Serbian Chemical Society |
Subjects: | |
Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2002/0352-51390204257C.pdf |
Similar Items
-
Heats of formation for the azine series: A Gaussian-3 study
by: CHOW-SHING LAM, et al.
Published: (2002-04-01) -
Energetic and bonding study of hexamethylenetetramine and fourteen related cage molecules: An ab initio G3 (MP2) investigation
by: Ho H.O., et al.
Published: (2005-01-01) -
Synthèse et réactivité d'imidazo[1,2-x]azines : obtention de composés polycycliques
by: El Akkaoui, Ahmed
Published: (2009) -
N,N-disubstituted azines attenuate LPS-mediated neuroinflammation in microglia and neuronal apoptosis via inhibiting MAPK signaling pathways
by: Lalita Subedi, et al.
Published: (2017-12-01) -
Azine- and Azole-Functionalized Oligo´ and Polythiophene Semiconductors for Organic Thin-Film Transistors
by: Rocío Ponce Ortiz, et al.
Published: (2010-03-01)