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Journal Abstract Search
799 related items for PubMed ID: 16789779
1. 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 29; 110(25):7904-12. PubMed ID: 16789779 [Abstract] [Full Text] [Related]
3. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation. Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA. J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037 [Abstract] [Full Text] [Related]
8. A computational study of conformational interconversions in 1,4-dithiacyclohexane (1,4-dithiane). Freeman F, Derek E. J Comput Chem; 2003 Jun 16; 24(8):909-19. PubMed ID: 12720311 [Abstract] [Full Text] [Related]
9. An ab initio benchmark study of hydrogen bonded formamide dimers. Frey JA, Leutwyler S. J Phys Chem A; 2006 Nov 16; 110(45):12512-8. PubMed ID: 17091957 [Abstract] [Full Text] [Related]
16. Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study. Freccero M, Di Valentin C, Sarzi-Amadè M, DFT study. J Am Chem Soc; 2003 Mar 26; 125(12):3544-53. PubMed ID: 12643716 [Abstract] [Full Text] [Related]
18. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains. Nagy PI, Erhardt PW. J Phys Chem A; 2008 May 08; 112(18):4342-54. PubMed ID: 18373368 [Abstract] [Full Text] [Related]