Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q− (q = 0–2)

Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q− (q = 0–2)

(2015) Jing Su et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational Spectroscopy of the Dehydrogenated Uracil Radical by Autodetachment of Dipole-Bound Excited States of Cold Anions

(2014) Hong-Tao Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Strong electron correlation in UO2−: A photoelectron spectroscopy and relativistic quantum chemistry study

(2014) Wei-Li Li et al.   JOURNAL OF CHEMICAL PHYSICS

High-resolution photoelectron imaging of cold C60− anions and accurate determination of the electron affinity of C60

(2014) Dao-Ling Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Physical Meaning of Virtual Kohn–Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations

(2014) R. van Meer et al.   Journal of Chemical Theory and Computation

Observation of Mode-Specific Vibrational Autodetachment from Dipole-Bound States of Cold Anions

(2013) Hong-Tao Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5−and UCl5

(2013) Jing Su et al.   Chemistry-An Asian Journal

Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3– (X = F, Cl, Br, I): Competition between Coulomb Repulsion and U–X Bonding

(2013) Jing Su et al.   INORGANIC CHEMISTRY

Probing the electronic structures of low oxidation-state uranium fluoride molecules UFx− (x = 2−4)

(2013) Wei-Li Li et al.   JOURNAL OF CHEMICAL PHYSICS

A fully variational spin-orbit coupled complete active space self-consistent field approach: Application to electron paramagnetic resonance g-tensors

(2013) Dmitry Ganyushin et al.   JOURNAL OF CHEMICAL PHYSICS

Quantifying the σ and π Interactions between U(V) f Orbitals and Halide, Alkyl, Alkoxide, Amide and Ketimide Ligands

(2013) Wayne W. Lukens et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Beyond state I

(2013) Sebastian Riedel et al.   Nature Chemistry

Caesium in high oxidation states and as a p-block element

(2013) Mao-sheng Miao   Nature Chemistry

The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies

(2013) E. J. Baerends et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Redox Equilibria of the U4+/U3+ and U3+/U Couples in Molten LiCl-RbCl Eutectic

(2012) Takayuki NAGAI et al.   ELECTROCHEMISTRY

Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)

(2012) Stefan G. Minasian et al.   INORGANIC CHEMISTRY

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

(2012) Phuong Diem Dau et al.   JOURNAL OF CHEMICAL PHYSICS

Note: Photoelectron spectroscopy of cold UF5−

(2012) Phuong Diem Dau et al.   JOURNAL OF CHEMICAL PHYSICS

Photoelectron spectroscopy and theoretical studies of UF5− and UF6−

(2012) Phuong Diem Dau et al.   JOURNAL OF CHEMICAL PHYSICS

Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions, Including a Topological Mass Factor§

(2012) Jing Su et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex

(2012) Lani A. Seaman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl62– (M = Ti, Zr, Hf, U) and UOCl5– Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory

(2012) Stefan G. Minasian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The electronic structure and chemical bonding in gold dihydride: AuH2− and AuH2

(2012) Hong-Tao Liu et al.   Chemical Science

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

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

Electronic Structure of U (III) and U (IV) Ions in a LiCl–KCl eutectic melt at 450°C

(2011) Young-Hwan Cho et al.   MICROCHEMICAL JOURNAL

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

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

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

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

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

Optical and magnetic properties of the 5f[sup 1]AnX[sub 6][sup q−] series: A theoretical study

(2009) François-Paul Notter et al.   JOURNAL OF CHEMICAL PHYSICS

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

In Situ Spectroscopy and Spectroelectrochemistry of Uranium in High-Temperature Alkali Chloride Molten Salts

(2008) Ilya B. Polovov et al.   INORGANIC CHEMISTRY

Solvation of UCl62−Anionic Complex by MeBu3N+, BuMe2Im+, and BuMeIm+Cations

(2008) Emilie Bossé et al.   INORGANIC CHEMISTRY

Bond Multiplicity in Transition-Metal Complexes: Applications of Two-Electron Valence Indices

(2008) Artur Michalak et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Syntheses, structures, and magnetic and optical properties of the compounds [Hg3Te2][UCl6] and [Hg4As2][UCl6]

(2008) Daniel E. Bugaris et al.   JOURNAL OF SOLID STATE CHEMISTRY

Development of a low-temperature photoelectron spectroscopy instrument using an electrospray ion source and a cryogenically controlled ion trap

(2008) Xue-Bin Wang et al.   REVIEW OF SCIENTIFIC INSTRUMENTS