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231 related items for PubMed ID: 16920091
1. An investigation of the pyranose ring interconversion path of alpha-L-idose calculated using density functional theory. Kurihara Y, Ueda K. Carbohydr Res; 2006 Nov 06; 341(15):2565-74. PubMed ID: 16920091 [Abstract] [Full Text] [Related]
3. A computational study of conformational interconversions in 1,4-dithiacyclohexane (1,4-dithiane). Freeman F, Derek E. J Comput Chem; 2003 Jun 06; 24(8):909-19. PubMed ID: 12720311 [Abstract] [Full Text] [Related]
5. DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory. Momany FA, Appell M, Willett JL, Schnupf U, Bosma WB. Carbohydr Res; 2006 Mar 20; 341(4):525-37. PubMed ID: 16414033 [Abstract] [Full Text] [Related]
7. DFT study of alpha- and beta-D-mannopyranose at the B3LYP/6-311++G** level. Appell M, Willett JL, Momany FA. Carbohydr Res; 2005 Feb 28; 340(3):459-68. PubMed ID: 15680602 [Abstract] [Full Text] [Related]
9. Ring inversion in 1,4,7 cyclononatriene and analogues: Ab initio and DFT calculations and topological analysis. Zamora MA, Suvire FD, Enriz RD. J Comput Chem; 2008 Jan 30; 29(2):280-90. PubMed ID: 17559073 [Abstract] [Full Text] [Related]
11. B3LYP/6-311++G** study of structure and spin-spin coupling constant in methyl 2-O-sulfo-alpha-L-iduronate. Hricovíni M. Carbohydr Res; 2006 Nov 06; 341(15):2575-80. PubMed ID: 16930570 [Abstract] [Full Text] [Related]
13. A theoretical study of the conformational behavior of analogues of alpha-L-rhamnose-1-phosphate. Compostella F, Albini FM, Ronchetti F, Toma L. Carbohydr Res; 2004 May 17; 339(7):1323-30. PubMed ID: 15113670 [Abstract] [Full Text] [Related]
15. DFT conformation and energies of amylose fragments at atomic resolution. Part 2: 'Band-flip' and 'kink' forms of alpha-maltotetraose. Schnupf U, Willett JL, Momany FA. Carbohydr Res; 2009 Feb 17; 344(3):374-83. PubMed ID: 19111748 [Abstract] [Full Text] [Related]
16. Conformational study of cis-1,4-di-tert-butylcyclohexane by dynamic NMR spectroscopy and computational methods. Observation of chair and twist-boat conformations. Gill G, Pawar DM, Noe EA. J Org Chem; 2005 Dec 23; 70(26):10726-31. PubMed ID: 16355992 [Abstract] [Full Text] [Related]
17. Theoretical study of the highly diastereoselective 1,3-dipolar cycloaddition of 1,4-dihydropyridine-containing azomethine ylides to [60]fullerene (Prato's reaction). Alvarez A, Ochoa E, Verdecia Y, Suárez M, Solá M, Martín N. J Org Chem; 2005 Apr 15; 70(8):3256-62. PubMed ID: 15822989 [Abstract] [Full Text] [Related]