So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Lew-Yee, Juan Felipe Huan; Piris, Mario; del Campo, Jorge M. researched the compound: Oxazole( cas:288-42-6 ).Application of 288-42-6.They published the article 《Resolution of the identity approximation applied to PNOF correlation calculations》 about this compound( cas:288-42-6 ) in arXiv.org, e-Print Archive, Physics. Keywords: cycloalkane piris natural orbital functional correlation calculation electronic energy. We’ll tell you more about this compound (cas:288-42-6).
In this work, the required algebra to employ the resolution of the identity approximation within piris natural orbital functional (PNOF) is developed, leading to an implementation named DoNOF-RI. The arithmetic scaling is reduced from fifth-order to fourth-order, and the memory scaling is reduced from fourth-order to third-order, allowing significant computational time savings. After the DoNOF-RI calculation has fully converged, a restart with four-center electron repulsion integrals can be performed to remove the effect of the auxiliary basis set incompleteness, quickly converging to the exact result. The proposed approach has been tested on cycloalkanes a nd other mols. of general interest to study the numerical results as well as the speed-ups achieved by PNOF7-RI when compared with PNOF7.
In some applications, this compound(288-42-6)Application of 288-42-6 is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.
Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem