These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
10. Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions. Singh RK; Tsuneda T J Comput Chem; 2013 Feb; 34(5):379-86. PubMed ID: 23037888 [TBL] [Abstract][Full Text] [Related]
11. Diels-Alder reactions of graphene oxides: greatly enhanced chemical reactivity by oxygen-containing groups. Tang S; Wu W; Liu L; Cao Z; Wei X; Chen Z Phys Chem Chem Phys; 2017 May; 19(18):11142-11151. PubMed ID: 28425517 [TBL] [Abstract][Full Text] [Related]
12. Theoretical revisit of regioselectivities of diels-alder reactions: orbital-based reevaluation of multicentered reactivity in terms of reactive hybrid orbitals. Hirao H; Ohwada T J Phys Chem A; 2005 Feb; 109(5):816-24. PubMed ID: 16838952 [TBL] [Abstract][Full Text] [Related]
13. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity. Teale AM; De Proft F; Tozer DJ J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637 [TBL] [Abstract][Full Text] [Related]
14. The electronic properties of superatom states of hollow molecules. Feng M; Zhao J; Huang T; Zhu X; Petek H Acc Chem Res; 2011 May; 44(5):360-8. PubMed ID: 21413734 [TBL] [Abstract][Full Text] [Related]
15. Experimental and theoretical electron momentum spectroscopic study of the valence electronic structure of tetrahydrofuran under pseudorotation. Ning CG; Huang YR; Zhang SF; Deng JK; Liu K; Luo ZH; Wang F J Phys Chem A; 2008 Nov; 112(44):11078-87. PubMed ID: 18842033 [TBL] [Abstract][Full Text] [Related]
16. The Woodward-Hoffmann rules reinterpreted by conceptual density functional theory. Geerlings P; Ayers PW; Toro-Labbé A; Chattaraj PK; De Proft F Acc Chem Res; 2012 May; 45(5):683-95. PubMed ID: 22283422 [TBL] [Abstract][Full Text] [Related]
17. New Insights into the Diels-Alder Reaction of Graphene Oxide. Brisebois PP; Kuss C; Schougaard SB; Izquierdo R; Siaj M Chemistry; 2016 Apr; 22(17):5849-52. PubMed ID: 26953926 [TBL] [Abstract][Full Text] [Related]