Photoelectron spectroscopy and the electronic structure of the uranyl tetrachloride dianion: UO2Cl42−

Electronic Spectra and Excited States of Neptunyl and Its [NpO2Cl4]2– Complex

(2012) Jing Su et al.   INORGANIC CHEMISTRY

Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4]2–): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?

(2012) Paweł Tecmer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2012) Phuong Diem Dau et al.   Chemical Science

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

(2011) Jing Su et al.   INORGANIC CHEMISTRY

Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution

(2011) Vladimir V. Zhurov 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

Analysis of Electronic States and Energy Level Structure of Uranyl in Compounds

(2011) G. K. Liu   JOURNAL OF PHYSICAL CHEMISTRY A

Structural Correspondence between Uranyl Chloride Complexes in Solution and Their Stability Constants

(2011) L. Soderholm et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Characterization of Bonding in Cesium Uranyl Chloride: Topological Analysis of the Experimental Charge Density

(2011) Vladimir V. Zhurov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Probing the electronic structure and chemical bonding of the “staple” motifs of thiolate gold nanoparticles: Au(SCH3)2− and Au2(SCH3)3−

(2011) Chuan-Gang Ning et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Geometries, electronic structures, and excited states of UN2, NUO+, and UO 2 2+ : a combined CCSD(T), RAS/CASPT2 and TDDFT study

(2011) Fan Wei et al.   THEORETICAL CHEMISTRY ACCOUNTS

The mixed cyanide halide Au(i) complexes, [XAuCN]− (X = F, Cl, Br, and I): evolution from ionic to covalent bonding

(2011) Hong-Tao Liu et al.   Chemical Science

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

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

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

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

Density functional study of aqueous uranyl(VI) fluoride complexes

(2008) Michael Bühl et al.   CHEMICAL PHYSICS LETTERS

Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile

(2008) Christoph Hennig et al.   INORGANIC CHEMISTRY