Polarizable force field parameterization and theoretical simulations of ThCl4 -LiCl molten salts

Electrochemical behavior of Th(IV) and its electrodeposition from ThF 4 -LiCl-KCl melt

(2016) Xianbin Wang et al.   ELECTROCHIMICA ACTA

Coordination numbers and physical properties in molten salts and their mixtures

(2016) Dario Corradini et al.   FARADAY DISCUSSIONS

Coordination numbers and physical properties in molten salts and their mixtures

(2016) Dario Corradini et al.   FARADAY DISCUSSIONS

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

Electrochemistry of actinides and fission products in molten salts—Data review

(2014) Jinsuo Zhang   JOURNAL OF NUCLEAR MATERIALS

Electrochemical studies and analysis of 1–10wt% UCl3 concentrations in molten LiCl–KCl eutectic

(2014) Robert O. Hoover et al.   JOURNAL OF NUCLEAR MATERIALS

Theoretical Studies of Structure and Dynamics of Molten Salts: The LiF–ThF4 System

(2014) Jian-Biao Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Electrochemical Co-reduction of Mg-Al-Y Alloys in the LiCl-NaCl-MgCl2-AlF3-YCl3 Melts

(2014) Mei Li et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

Real-time monitoring of metal ion concentration in LiCl–KCl melt using electrochemical techniques

(2014) Dae-Hyeon Kim et al.   MICROCHEMICAL JOURNAL

Candidate molten salt investigation for an accelerator driven subcritical core

(2013) E. Sooby et al.   JOURNAL OF NUCLEAR MATERIALS

Extraction of thorium from LiCl–KCl molten salts by forming Al–Th alloys: a new pyrochemical method for the reprocessing of thorium-based spent fuels

(2013) Ya-Lan Liu et al.   RSC Advances

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Molecular dynamics simulation of the thermodynamic and transport properties of the molten salt fast reactor fuel LiF–ThF4

(2012) Leslie C. Dewan et al.   JOURNAL OF NUCLEAR MATERIALS

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

Including many-body effects in models for ionic liquids

(2012) Mathieu Salanne et al.   THEORETICAL CHEMISTRY ACCOUNTS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ion Specific Effects on the Structure of Molten AF-ZrF4Systems (A+= Li+, Na+, and K+)

(2011) Olivier Pauvert et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polarization effects in ionic solids and melts

(2011) Mathieu Salanne et al.   MOLECULAR PHYSICS

EPR Investigation on a Quantitative Analysis of Eu(II) and Eu(III) in LiCl/KCl Eutectic Molten Salt

(2010)   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

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

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

Local Coordination about La3+in Molten LaCl3and Its Mixtures with Alkali Chlorides

(2010) Yoshihiro Okamoto et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic absorption spectra of Sm(II) and Yb(II) ions in a LiCl–KCl eutectic melt at 450°C

(2009) Young-Hwan Cho et al.   JOURNAL OF LUMINESCENCE

Reactor physic and reprocessing scheme for innovative molten salt reactor system

(2008) S. Delpech et al.   JOURNAL OF FLUORINE CHEMISTRY

Calculation of Activities of Ions in Molten Salts with Potential Application to the Pyroprocessing of Nuclear Waste

(2008) Mathieu Salanne et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High temperature NMR study of the local structure of molten LaF3–AF (A = Li, Na, K and Rb) mixtures

(2008) Anne-Laure Rollet et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS