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1043 related items for PubMed ID: 21182291
1. Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. Farrugia LJ, Senn HM. J Phys Chem A; 2010 Dec 30; 114(51):13418-33. PubMed ID: 21182291 [Abstract] [Full Text] [Related]
3. Structural diversity in manganese, iron and cobalt complexes of the ditopic 1,2-bis(2,2'-bipyridyl-6-yl)ethyne ligand and observation of epoxidation and catalase activity of manganese compounds. Madhu V, Ekambaram B, Shimon LJ, Diskin Y, Leitus G, Neumann R. Dalton Trans; 2010 Aug 21; 39(31):7266-75. PubMed ID: 20582360 [Abstract] [Full Text] [Related]
5. Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides. Gibbs GV, Downs RT, Cox DF, Rosso KM, Ross NL, Kirfel A, Lippmann T, Morgenroth W, Crawford TD. J Phys Chem A; 2008 Sep 18; 112(37):8811-23. PubMed ID: 18714960 [Abstract] [Full Text] [Related]
6. DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site. Bertini L, Greco C, De Gioia L, Fantucci P. J Phys Chem A; 2009 May 14; 113(19):5657-70. PubMed ID: 19378958 [Abstract] [Full Text] [Related]
12. Experimental and theoretical charge density study of chemical bonding in a Co dimer complex. Overgaard J, Clausen HF, Platts JA, Iversen BB. J Am Chem Soc; 2008 Mar 26; 130(12):3834-43. PubMed ID: 18314974 [Abstract] [Full Text] [Related]
15. A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. Farrugia LJ, Middlemiss DS, Sillanpää R, Seppälä P. J Phys Chem A; 2008 Sep 25; 112(38):9050-67. PubMed ID: 18759408 [Abstract] [Full Text] [Related]
16. Weak intra- and intermolecular interactions in a binaphthol imine: an experimental charge-density study on (+/-)-8'-benzhydrylideneamino-1,1'-binaphthyl-2-ol. Farrugia LJ, Kocovský P, Senn HM, Vyskocil S. Acta Crystallogr B; 2009 Dec 25; 65(Pt 6):757-69. PubMed ID: 19923704 [Abstract] [Full Text] [Related]
18. Enzymatic mechanism of Fe-only hydrogenase: density functional study on H-H making/breaking at the diiron cluster with concerted proton and electron transfers. Zhou T, Mo Y, Liu A, Zhou Z, Tsai KR. Inorg Chem; 2004 Feb 09; 43(3):923-30. PubMed ID: 14753812 [Abstract] [Full Text] [Related]
20. CO-induced formation of an interpenetrating bicuboctahedral Au2Pd18 kernel in nanosized Au2Pd28(CO)26(PEt3)10: formal replacement of an interior (μ12-Pd)2 fragment in the corresponding known isostructural homopalladium Pd30(CO)26(PEt3)10 with nonisovalent (μ12-Au)2 and resulting experimental/theoretical implications. Mednikov EG, Ivanov SA, Dahl LF. Inorg Chem; 2011 Nov 21; 50(22):11795-806. PubMed ID: 22026509 [Abstract] [Full Text] [Related] Page: [Next] [New Search]