Observation and investigation of the uranyl tetrafluoride dianion (UO2F42−) and its solvation complexes with water and acetonitrile

Uranyl-Glycine-Water Complexes in Solution: Comprehensive Computational Modeling of Coordination Geometries, Stabilization Energies, and Luminescence Properties

(2011) Jing Su et al.   INORGANIC CHEMISTRY

QM and QM/MM Studies of Uranyl Fluorides in the Gas and Aqueous Phases and in the Hydrophobic Cavities of Tetrabrachion

(2011) Samuel O. Odoh et al.   INORGANIC CHEMISTRY

Theoretical Study of the Luminescent States and Electronic Spectra of UO2Cl2in an Argon Matrix

(2011) Jing Su et al.   Journal of Chemical Theory and Computation

Excited States and Absorption Spectra of UF6: A RASPT2 Theoretical Study with Spin–Orbit Coupling

(2011) Fan Wei et al.   Journal of Chemical Theory and Computation

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Water versus Acetonitrile Coordination to Uranyl. Density Functional Study of Cooperative Polarization Effects in Solution

(2010) Michael Bühl et al.   INORGANIC CHEMISTRY

Vibrational spectra of discrete UO22+ halide complexes in the gas phase

(2010) Gary S. Groenewold et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Photoelectron Imaging and Spectroscopy of MI2−(M = Cs, Cu, Au): Evolution from Ionic to Covalent Bonding†

(2010) Yi-Lei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Charge Transfer in Uranyl(VI) Halides [UO2X4]2−(X = F, Cl, Br, and I). A Quantum Chemical Study of the Absorption Spectra

(2010) Fernando Ruipérez et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Investigations of Geometry, Electronic Structure and Stability of UO6: Octahedral Uranium Hexoxide and Its Isomers†

(2010) Hai Xiao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Variable denticity in carboxylate binding to the uranyl coordination complexes

(2010) Gary S. Groenewold et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Structure and stability of aquotetrafluorouranyl(VI) in the solid state — Density functional study of [UO2F4(H2O)][NMe4]2·2H2O,

(2009) Michael Bühl   CANADIAN JOURNAL OF CHEMISTRY

Effect of Temperature on the Complexation of Uranium(VI) with Fluoride in Aqueous Solutions

(2009) Guoxin Tian et al.   INORGANIC CHEMISTRY

Effect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study

(2009) Michael Bühl et al.   INORGANIC CHEMISTRY

Vibrationally Resolved Photoelectron Spectroscopy of Di-Gold Carbonyl Clusters Au2(CO)n−(n= 1−3): Experiment and Theory†

(2009) Yi-Lei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Evidence of Significant Covalent Bonding in Au(CN)2−

(2009) Xue-Bin Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoelectron Spectroscopy of Multiply Charged Anions

(2008) Xue-Bin Wang et al.   Annual Review of Physical Chemistry

Density functional study of aqueous uranyl(VI) fluoride complexes

(2008) Michael Bühl et al.   CHEMICAL PHYSICS LETTERS

Infrared Spectroscopy of Dioxouranium(V) Complexes with Solvent Molecules: Effect of Reduction

(2008) Gary S. Groenewold et al.   CHEMPHYSCHEM

Vibrational spectroscopy of anionic nitrate complexes of UO22+and Eu3+isolated in the gas phase

(2007) G. S. Groenewold et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS