The Nature of the Technetium Species Formed During the Oxidation of Technetium Dioxide with Oxygen and Water

Molecular and Electronic Structures of M2O7 (M = Mn, Tc, Re)

(2017) Keith V. Lawler et al.   INORGANIC CHEMISTRY

Ditechnetium Heptoxide Revisited: Solid-State, Gas-Phase, and Theoretical Studies

(2016) Bradley C. Childs et al.   INORGANIC CHEMISTRY

The nature of the volatile technetium species formed during vitrification of borosilicate glass

(2015) Bradley C. Childs et al.   JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

Time-Dependent Density-Functional Description of the1LaState in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise?

(2011) Ryan M. Richard et al.   Journal of Chemical Theory and Computation

Structure studies on lanthanide technetium pyrochlores as prospective host phases to immobilize 99technetium and fission lanthanides from effluents of reprocessed used nuclear fuels

(2011) T. Hartmann et al.   JOURNAL OF NUCLEAR MATERIALS

Speciation of heptavalent technetium in sulfuric acid: structural and spectroscopic studies

(2010) Frederic Poineau et al.   DALTON TRANSACTIONS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Structure–reactivity relationships and substituent effect additivity in the aqueous oxidation of chlorophenols by cerium(iv)

(2010) Adrienn Simon et al.   NEW JOURNAL OF CHEMISTRY

Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory

(2008) Mary A. Rohrdanz et al.   JOURNAL OF CHEMICAL PHYSICS

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS