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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Efficient Visible-Light Photocatalytic Water Splitting by Minute Amounts of Gold Supported on Nanoparticulate CeO2 Obtained by a Biopolymer Templating Method
Matrix Infrared Spectroscopic and Electronic Structure Investigations of the Lanthanide Metal Atom-Methyl Fluoride Reaction Products CH3-LnF and CH2-LnHF: The Formation of Single Carbon-Lanthanide Metal Bonds
Characterization of the Reaction Products of Laser-Ablated Early Lanthanide Metal Atoms with Dinitrogen. Infrared Spectra of LnN, LnN2, (LnN)2, and Ln(NN)x Molecules
Characterization of the Reaction Products of Laser-Ablated Late Lanthanide Metal Atoms with Dinitrogen. Matrix IR Spectra of LnN, (LnN)2, and Ln(NN)x Molecules
Characterization of the Reaction Products of Laser-Ablated Early Lanthanide Metal Atoms with Molecular Oxygen. Infrared Spectra of LnO, LnO+, LnO-, LnO2, LnO2+, LnO2-, LnO3-, and (LnO)2 in Solid Argon
Characterization of the Reaction Products of Laser-Ablated Late Lanthanide Metal Atoms with Molecular Oxygen: Infrared Spectra of LnO, LnO+, LnO-, LnO2, LnO2-, LnO3-, and (LnO)2 in Solid Argon
Characterization of the Reaction Products of Laser-Ablated Lanthanide Metal Atoms with Nitric Oxide. Infrared Spectra of the NLnO Molecules in Solid Argon
Characterization of the Reaction Products of Laser-Ablated Lanthanide Metal Atoms with Molecular Hydrogen. Infrared Spectra of LnH, LnH2, LnH3, and LnH4Molecules in Solid Argon
Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients
Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation
Aloe vera gel-mediated sol-gel synthesis of Ce-Ni Co-doped TiO2 nanomaterials for efficient visible-light-driven binary dye degradation and antimicrobial applications
Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States
Ionic Liquid Mediated Sol Gel Method for Fabrication of Nanostructured Cerium and Phosphorus Doped TiO2 - A Benign Photocatalyst: Diversified Applications in Degradation of Dyes and Microbes
Spin–orbit coupling and vibronic transitions of Ce(C3H4) and Ce(C3H6) formed by the Ce reaction with propene: Mass-analyzed threshold ionization and relativistic quantum computation
The Importance of Rare-Earth Additions in Zr-Based AB2 Metal Hydride Alloys
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