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.
3. N-methyl-N-phenylaminomethyl 2-naphthyl ketone: an X-ray diffraction and density functional theory study. Karabiyik H; Keskin S; Aygün M; Arsu N; Büyükgüngör O Acta Crystallogr C; 2008 Mar; 64(Pt 3):o155-8. PubMed ID: 18322343 [TBL] [Abstract][Full Text] [Related]
4. alpha- and beta-FOX-7, polymorphs of a high energy density material, studied by X-ray single crystal and powder investigations in the temperature range from 200 to 423 K. Evers J; Klapötke TM; Mayer P; Oehlinger G; Welch J Inorg Chem; 2006 Jun; 45(13):4996-5007. PubMed ID: 16780321 [TBL] [Abstract][Full Text] [Related]
5. 2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study. Langer V; Gyepesová D; Scholtzová E; Luston J; Kronek J; Koós M Acta Crystallogr C; 2006 Jul; 62(Pt 7):o416-8. PubMed ID: 16823218 [TBL] [Abstract][Full Text] [Related]
6. Novel pathways for oxygen insertion into unactivated C-H bonds by dioxiranes. Transition structures for stepwise routes via radical pairs and comparison with the concerted pathway. Freccero M; Gandolfi R; Sarzi-Amadè M; Rastelli A J Org Chem; 2003 Feb; 68(3):811-23. PubMed ID: 12558403 [TBL] [Abstract][Full Text] [Related]
7. 4-(3,5-Dimethyl-1H-pyrazol-4-ylmethyl)-3,5-dimethyl-1H-pyrazol-2-ium dihydrogen phosphate: a combined X-ray and DFT study. Hazra DK; Chatterjee R; Ali M; Mukherjee M Acta Crystallogr C; 2010 Apr; 66(Pt 4):o190-3. PubMed ID: 20354308 [TBL] [Abstract][Full Text] [Related]
8. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density. Varadwaj PR; Marques HM Phys Chem Chem Phys; 2010 Mar; 12(9):2126-38. PubMed ID: 20165761 [TBL] [Abstract][Full Text] [Related]
9. (E)-2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol and (E)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures. Koşar B; Albayrak C; Odabaşoğlu M; Büyükgüngör O Acta Crystallogr C; 2009 Oct; 65(Pt 10):o517-20. PubMed ID: 19805885 [TBL] [Abstract][Full Text] [Related]
10. tert-Butylphosphonic acid: from the bulk to the gas phase. Mehring M; Schürmann M; Ludwig R Chemistry; 2003 Feb; 9(4):837-49. PubMed ID: 12584698 [TBL] [Abstract][Full Text] [Related]
14. Dimers of and tautomerism between 2-pyrimidinethiol and 2(1H)-pyrimidinethione: a density functional theory (DFT) study. Freeman F; Po HN J Phys Chem A; 2006 Jun; 110(25):7904-12. PubMed ID: 16789779 [TBL] [Abstract][Full Text] [Related]
15. Norbornyl cations of group 14 elements. Müller T; Bauch C; Ostermeier M; Bolte M; Auner N J Am Chem Soc; 2003 Feb; 125(8):2158-68. PubMed ID: 12590544 [TBL] [Abstract][Full Text] [Related]
16. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide. da Silva G; Bozzelli JW J Phys Chem A; 2007 Nov; 111(47):12026-36. PubMed ID: 17983209 [TBL] [Abstract][Full Text] [Related]
17. Ab initio structure determination of 5-anilinomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione from laboratory powder data--a combined use of X-ray, molecular and solid-state DFT study. Smrcok L; Jorík V; Scholtzová E; Milata V Acta Crystallogr B; 2007 Jun; 63(Pt 3):477-84. PubMed ID: 17507761 [TBL] [Abstract][Full Text] [Related]
18. Hydrogen bonding in 1,2-diazine-chloranilic acid (2/1) and 1,4-diazine-chloranilic acid (2/1) determined at 110 K. Gotoh K; Asaji T; Ishida H Acta Crystallogr C; 2008 Oct; 64(Pt 10):o550-3. PubMed ID: 18838773 [TBL] [Abstract][Full Text] [Related]