254 related articles for article (PubMed ID: 19006299)
1. Computational density functional study of polypyrrolic macrocycles: analysis of actinyl-oxo to 3d transition metal bonding.
Berard JJ; Schreckenbach G; Arnold PL; Patel D; Love JB
Inorg Chem; 2008 Dec; 47(24):11583-92. PubMed ID: 19006299
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Experimental and theoretical studies on the fragmentation of gas-phase uranyl-, neptunyl-, and plutonyl-diglycolamide complexes.
Gong Y; Hu HS; Rao L; Li J; Gibson JK
J Phys Chem A; 2013 Oct; 117(40):10544-50. PubMed ID: 24015813
[TBL] [Abstract][Full Text] [Related]
4. Gas-phase uranyl, neptunyl, and plutonyl: hydration and oxidation studied by experiment and theory.
Rios D; Michelini MC; Lucena AF; Marçalo J; Bray TH; Gibson JK
Inorg Chem; 2012 Jun; 51(12):6603-14. PubMed ID: 22656318
[TBL] [Abstract][Full Text] [Related]
5. A Quasi-relativistic Density Functional Theory Study of the Actinyl(VI, V) (An = U, Np, Pu) Complexes with a Six-Membered Macrocycle Containing Pyrrole, Pyridine, and Furan Subunits.
Lan JH; Wang CZ; Wu QY; Wang SA; Feng YX; Zhao YL; Chai ZF; Shi WQ
J Phys Chem A; 2015 Aug; 119(34):9178-88. PubMed ID: 26226188
[TBL] [Abstract][Full Text] [Related]
6. Density functional studies of actinyl aquo complexes studied using small-core effective core potentials and a scalar four-component relativistic method.
Shamov GA; Schreckenbach G
J Phys Chem A; 2005 Dec; 109(48):10961-74. PubMed ID: 16331940
[TBL] [Abstract][Full Text] [Related]
7. Binuclear uranium(VI) complexes with a "pacman" expanded porphyrin: computational evidence for highly unusual bis-actinyl structures.
Pan QJ; Shamov GA; Schreckenbach G
Chemistry; 2010 Feb; 16(7):2282-90. PubMed ID: 20066688
[TBL] [Abstract][Full Text] [Related]
8. Deviation between the chemistry of Ce(IV) and Pu(IV) and routes to ordered and disordered heterobimetallic 4f/5f and 5f/5f phosphonates.
Diwu J; Wang S; Good JJ; DiStefano VH; Albrecht-Schmitt TE
Inorg Chem; 2011 Jun; 50(11):4842-50. PubMed ID: 21517014
[TBL] [Abstract][Full Text] [Related]
9. Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study.
Shamov GA; Schreckenbach G; Martin RL; Hay PJ
Inorg Chem; 2008 Mar; 47(5):1465-75. PubMed ID: 18225857
[TBL] [Abstract][Full Text] [Related]
10. Probing the chemistry, electronic structure and redox energetics in organometallic pentavalent uranium complexes.
Graves CR; Vaughn AE; Schelter EJ; Scott BL; Thompson JD; Morris DE; Kiplinger JL
Inorg Chem; 2008 Dec; 47(24):11879-91. PubMed ID: 19053342
[TBL] [Abstract][Full Text] [Related]
11. Binuclear hexa- and pentavalent uranium complexes with a polypyrrolic ligand: a density functional study of water- and hydronium-induced reactions.
Pan QJ; Schreckenbach G
Inorg Chem; 2010 Jul; 49(14):6509-17. PubMed ID: 20557108
[TBL] [Abstract][Full Text] [Related]
12. Relativistic density functional theory study of dioxoactinide(VI) and -(V) complexation with alaskaphyrin and related Schiff-base macrocyclic ligands.
Shamov GA; Schreckenbach G
J Phys Chem A; 2006 Aug; 110(30):9486-99. PubMed ID: 16869700
[TBL] [Abstract][Full Text] [Related]
13. Dinuclear Complexes of Uranyl, Neptunyl, and Plutonyl: Structures and Oxidation States Revealed by Experiment and Theory.
Jian T; Vasiliu M; Lee ZR; Zhang Z; Dixon DA; Gibson JK
J Phys Chem A; 2022 Oct; 126(42):7695-7708. PubMed ID: 36251495
[TBL] [Abstract][Full Text] [Related]
14. Spectroscopic study of molecular structures of novel Schiff base derived from o-phthaldehyde and 2-aminophenol and its coordination compounds together with their biological activity.
Abdallah SM; Mohamed GG; Zayed MA; Abou El-Ela MS
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 73(5):833-40. PubMed ID: 19505840
[TBL] [Abstract][Full Text] [Related]
15. Theoretical actinide molecular science.
Schreckenbach G; Shamov GA
Acc Chem Res; 2010 Jan; 43(1):19-29. PubMed ID: 19719099
[TBL] [Abstract][Full Text] [Related]
16. Relativistic DFT and experimental studies of mono- and bis-actinyl complexes of an expanded Schiff-base polypyrrole macrocycle.
Zheng XJ; Bell NL; Stevens CJ; Zhong YX; Schreckenbach G; Arnold PL; Love JB; Pan QJ
Dalton Trans; 2016 Oct; 45(40):15910-15921. PubMed ID: 27373562
[TBL] [Abstract][Full Text] [Related]
17. 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; 112(37):8811-23. PubMed ID: 18714960
[TBL] [Abstract][Full Text] [Related]
18. Stability and instability of the isoelectronic UO2(2+) and PaO2+ actinyl oxo-cations in aqueous solution from density functional theory based molecular dynamics.
Spezia R; Siboulet B; Abadie S; Vuilleumier R; Vitorge P
J Phys Chem B; 2011 Apr; 115(13):3560-70. PubMed ID: 21410178
[TBL] [Abstract][Full Text] [Related]
19. Molecular structure and electrochemical behavior of uranyl(VI) complex with pentadentate Schiff base ligand: prevention of uranyl(V) cation-cation interaction by fully chelating equatorial coordination sites.
Takao K; Kato M; Takao S; Nagasawa A; Bernhard G; Hennig C; Ikeda Y
Inorg Chem; 2010 Mar; 49(5):2349-59. PubMed ID: 20108945
[TBL] [Abstract][Full Text] [Related]
20. Electron-Transfer-Enhanced Cation-Cation Interactions in Homo- and Heterobimetallic Actinide Complexes: A Relativistic Density Functional Theory Study.
Zheng M; Chen FY; Tian JN; Pan QJ
Inorg Chem; 2018 Apr; 57(7):3893-3902. PubMed ID: 29561147
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]