Enrique R. Batista

Calculation of One-Electron Redox Potentials Revisited. Is It Possible to Calculate Accurate Potentials with Density Functional Methods?

Lindsay E. Roy, Elena Jakubı́ková, M. Guthrie et al. · The Journal of Physical Chemistry A · 2009 · 320 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Synthesis of Imido Analogs of the Uranyl Ion

Trevor W. Hayton, James M. Boncella, Brian L. Scott et al. · Science · 2005 · 232 citations

Natural Sciences, Chemistry, Computational Chemistry +12

Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl₆^<i>x</i>–(<i>x</i>= 3, 2)

Matthias W. Löble, Jason M. Keith, Alison B. Altman et al. · Journal of the American Chemical Society · 2015 · 231 citations

Natural Sciences, Chemistry, Materials Science +17

Uranium azide photolysis results in C–H bond activation and provides evidence for a terminal uranium nitride

Robert K. Thomson, Thibault Cantat, Brian L. Scott et al. · Nature Chemistry · 2010 · 230 citations

Natural Sciences, Chemistry, Analytical Chemistry +12

Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl₆^2– (M = Ti, Zr, Hf, U) and UOCl₅^– Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory

Stefan G. Minasian, Jason M. Keith, Enrique R. Batista et al. · Journal of the American Chemical Society · 2012 · 208 citations

Natural Sciences, Chemistry, Materials Science +17