✦ LIBER ✦

Relativistic Density Functional Study of the Dinuclear Uranyl Complex [(UO2)2 (μ2-OH)2Cl2(H2O)4] in Its Crystalline Environment.

✍ Scribed by Florian Schlosser; Sven Krueger; Notker Roesch

Publisher: John Wiley and Sons
Year: 2003
Weight: 52 KB
Volume: 34
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.200344001

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An Unprecedented Uranyl Phosphate Framew

An Unprecedented Uranyl Phosphate Framework in the Structure of [(UO2)3(PO4)O(OH) (H2O)2](H2O).

✍ Peter C. Burns; Cara M. Alexopoulos; Peter J. Hotchkiss; Andrew J. Locock 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 59 KB 👁 1 views

ChemInform Abstract: Theoretical Study o

ChemInform Abstract: Theoretical Study of Stable trans and cis Isomers in [UO2(OH)4]2- Using Relativistic Density Functional Theory.

✍ G. SCHRECKENBACH; P. J. HAY; R. L. MARTIN 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 30 KB

Theoretical Study of Stable trans and cis Isomers in [UO 2 (OH) 4 ] 2- Using Relativistic Density Functional Theory. -Relativistic DFT calculations for uranyl(VI) tetrahydroxide yield a total of nine stable structures possessing either a linear (trans-uranyl) or a bent uranyl bond (cis-uranyl). The

Expanding the Crystal Chemistry of Actin

Expanding the Crystal Chemistry of Actinyl Peroxides: Open Sheets of Uranyl Polyhedra in Na5 [(UO2)3(O2)4(OH)3] (H2O)13.

✍ Karrie-Ann Kubatko; Peter C. Burns 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 9 KB

Systematic DFT Study of Gas Phase and So

Systematic DFT Study of Gas Phase and Solvated Uranyl and Neptunyl Complexes [AnO2X4]n (An: U, Np; X: F, Cl, OH, n = -2; X: H2O, n = +2).

✍ Maite Garcia-Hernandez; Christa Willnauer; Sven Krueger; Lyudmila V. Moskaleva; 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 8 KB

Density Functional Theory and ab initio

Density Functional Theory and ab initio Study of Electronic and Electrochemistry Properties of the Tetranuclear Sandwich Complex [FeIII4(H2O)2 (PW9O34)2]6-.

✍ Susanna Romo; Jorge A. Fernandez; Joan Miquel Maestre; Bineta Keita; Louis Nadjo 📂 Article 📅 2007 🏛 John Wiley and Sons ⚖ 12 KB

ChemInform Abstract: Computational Study

ChemInform Abstract: Computational Study of Analogues of the Uranyl Ion Containing the —N=U=N— Unit: Density Functional Theory Calculations on UO22+, UON+, UN2, UO(NPH3)3+, U(NPH3)24+, [UCl4{NPR3}2] (R: H, Me), and [UOCl4{NP(C6H5)3}]-

✍ Nikolas Kaltsoyannis 📂 Article 📅 2001 🏛 John Wiley and Sons ⚖ 34 KB 👁 2 views