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.
171 related articles for article (PubMed ID: 19921057)
21. Prediction of pKa values of nido-carboranes by density functional theory methods. Farràs P; Teixidor F; Branchadell V Inorg Chem; 2006 Sep; 45(19):7947-54. PubMed ID: 16961389 [TBL] [Abstract][Full Text] [Related]
22. 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; 112(41):10386-98. PubMed ID: 18816037 [TBL] [Abstract][Full Text] [Related]
23. Effects of solvents, ligand aromaticity, and coordination sphere on the g tensor of anionic o-semiquinone radicals complexed by Mg2+ ions: DFT studies. Witwicki M; Jezierska J J Phys Chem B; 2011 Mar; 115(12):3172-84. PubMed ID: 21388128 [TBL] [Abstract][Full Text] [Related]
25. Conformational analysis of alkali metal complexes of anionic species of aspartic acid, their interconversion and deprotonation: a DFT investigation. Sang-Aroon W; Ruangpornvisuti V J Mol Graph Model; 2008 Feb; 26(6):982-90. PubMed ID: 17884644 [TBL] [Abstract][Full Text] [Related]
26. Determination of the overlapping pKa values of resorcinol using UV-visible spectroscopy and DFT methods. Blanco SE; Almandoz MC; Ferretti FH Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan; 61(1-2):93-102. PubMed ID: 15556426 [TBL] [Abstract][Full Text] [Related]
27. 1,4,7,10-tetraazacyclododecane metal complexes as potent promoters of carboxyester hydrolysis under physiological conditions. Subat M; Woinaroschy K; Anthofer S; Malterer B; König B Inorg Chem; 2007 May; 46(10):4336-56. PubMed ID: 17444638 [TBL] [Abstract][Full Text] [Related]
28. Accurate prediction of basicity in aqueous solution with COSMO-RS. Eckert F; Klamt A J Comput Chem; 2006 Jan; 27(1):11-9. PubMed ID: 16235262 [TBL] [Abstract][Full Text] [Related]
29. Protonation and reactivity towards carbon dioxide of the mononuclear tetrahedral zinc and cobalt hydroxide complexes, [Tp(Bu)t(,Me)]ZnOH and [Tp(Bu)t(,Me)]CoOH: comparison of the reactivity of the metal hydroxide function in synthetic analogues of carbonic anhydrase. Bergquist C; Fillebeen T; Morlok MM; Parkin G J Am Chem Soc; 2003 May; 125(20):6189-99. PubMed ID: 12785851 [TBL] [Abstract][Full Text] [Related]
30. Substrate activation by acyl-CoA dehydrogenases: transition-state stabilization and pKs of involved functional groups. Vock P; Engst S; Eder M; Ghisla S Biochemistry; 1998 Feb; 37(7):1848-60. PubMed ID: 9485310 [TBL] [Abstract][Full Text] [Related]
31. Copper cation interactions with biologically essential types of ligands: a computational DFT study. Pavelka M; Simanek M; Sponer J; Burda JV J Phys Chem A; 2006 Apr; 110(14):4795-809. PubMed ID: 16599448 [TBL] [Abstract][Full Text] [Related]
32. cis,cis-[(bpy)2RuVO]2O4+ catalyzes water oxidation formally via in situ generation of radicaloid RuIV-O*. Yang X; Baik MH J Am Chem Soc; 2006 Jun; 128(23):7476-85. PubMed ID: 16756301 [TBL] [Abstract][Full Text] [Related]
33. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions. Marenich AV; Cramer CJ; Truhlar DG J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259 [TBL] [Abstract][Full Text] [Related]
34. Acid-base and metal-ion-binding properties of 9-[2-(2-phosphonoethoxy)ethyl]adenine (PEEA), a relative of the antiviral nucleotide analogue 9-[2-(phosphonomethoxy)ethyl]adenine (PMEA). An exercise on the quantification of isomeric complex equilibria in solution. Fernández-Botello A; Griesser R; Holý A; Moreno V; Sigel H Inorg Chem; 2005 Jul; 44(14):5104-17. PubMed ID: 15998039 [TBL] [Abstract][Full Text] [Related]
35. Spectroscopic studies of bimetallic complexes derived from tridentate or tetradentate Schiff bases of some di- and tri-valent transition metals. Emara AA; Abou-Hussen AA Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jul; 64(4):1010-24. PubMed ID: 16332449 [TBL] [Abstract][Full Text] [Related]
36. Synthesis, structure, and spectroscopic properties of chiral oxorhenium(V) complexes incorporating polydentate ligands derived from L-amino acids: a density functional theory/time-dependent density functional theory investigation. Basak S; Rajak KK Inorg Chem; 2008 Oct; 47(19):8813-22. PubMed ID: 18729447 [TBL] [Abstract][Full Text] [Related]
37. Time-resolved resonance Raman and density functional theory study of the deprotonation reaction of the triplet state of p-hydroxyacetophenone in water solution. Zuo P; Ma C; Kwok WM; Chan WS; Phillips DL J Org Chem; 2005 Oct; 70(22):8661-75. PubMed ID: 16238294 [TBL] [Abstract][Full Text] [Related]
39. Stability, water exchange, and anion binding studies on lanthanide(III) complexes with a macrocyclic ligand based on 1,7-diaza-12-crown-4: extremely fast water exchange on the Gd3+ complex. Pálinkás Z; Roca-Sabio A; Mato-Iglesias M; Esteban-Gómez D; Platas-Iglesias C; de Blas A; Rodríguez-Blas T; Tóth E Inorg Chem; 2009 Sep; 48(18):8878-89. PubMed ID: 19655713 [TBL] [Abstract][Full Text] [Related]
40. The geometric structures, vibrational frequencies and redox properties of the actinyl coordination complexes ([AnO2(L)n](m); An = U, Pu, Np; L = H2O, Cl-, CO3(2-), CH3CO2(-), OH-) in aqueous solution, studied by density functional theory methods. Austin JP; Sundararajan M; Vincent MA; Hillier IH Dalton Trans; 2009 Aug; (30):5902-9. PubMed ID: 19623391 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]