| Electron correlation methods based on the random phase approximation H Eshuis, JE Bates, F Furche Theoretical Chemistry Accounts 131, 1-18, 2012 | 467 | 2012 |
| Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+ MR MacDonald, JE Bates, JW Ziller, F Furche, WJ Evans Journal of the American Chemical Society 135 (26), 9857-9868, 2013 | 393 | 2013 |
| Identification of the +2 Oxidation State for Uranium in a Crystalline Molecular Complex, [K(2.2.2-Cryptand)][(C5H4SiMe3)3U] MR MacDonald, ME Fieser, JE Bates, JW Ziller, F Furche, WJ Evans Journal of the American Chemical Society 135 (36), 13310-13313, 2013 | 282 | 2013 |
| Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality A Patra, JE Bates, J Sun, JP Perdew Proceedings of the National Academy of Sciences 114 (44), E9188-E9196, 2017 | 232 | 2017 |
| Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln2+ Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy … ME Fieser, MR MacDonald, BT Krull, JE Bates, JW Ziller, F Furche, ... Journal of the American Chemical Society 137 (1), 369-382, 2015 | 230 | 2015 |
| Expanding rare-earth oxidation state chemistry to molecular complexes of holmium (II) and erbium (II) MR MacDonald, JE Bates, ME Fieser, JW Ziller, F Furche, WJ Evans Journal of the American Chemical Society 134 (20), 8420-8423, 2012 | 222 | 2012 |
| Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction JG Brandenburg, JE Bates, J Sun, JP Perdew Physical Review B 94 (11), 115144, 2016 | 135 | 2016 |
| Harnessing the meta-generalized gradient approximation for time-dependent density functional theory JE Bates, F Furche The Journal of Chemical Physics 137 (16), 2012 | 126 | 2012 |
| Communication: Random phase approximation renormalized many-body perturbation theory JE Bates, F Furche The Journal of chemical physics 139 (17), 2013 | 125 | 2013 |
| Analytical first-order molecular properties and forces within the adiabatic connection random phase approximation AM Burow, JE Bates, F Furche, H Eshuis Journal of Chemical Theory and Computation 10 (1), 180-194, 2014 | 96 | 2014 |
| Synthesis of the (N2)3− Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2− via the Y[N(SiMe3)2]3/KC8 Reduction System M Fang, DS Lee, JW Ziller, RJ Doedens, JE Bates, F Furche, WJ Evans Journal of the American Chemical Society 133 (11), 3784-3787, 2011 | 87 | 2011 |
| (N2)3− Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2− and (N2)3− Complexes and Density Functional Theory Comparisons of Closed Shell Sc … M Fang, JE Bates, SE Lorenz, DS Lee, DB Rego, JW Ziller, F Furche, ... Inorganic Chemistry 50 (4), 1459-1469, 2011 | 76 | 2011 |
| Isolation of a radical dianion of nitrogen oxide (NO)2− WJ Evans, M Fang, JE Bates, F Furche, JW Ziller, MD Kiesz, JI Zink Nature chemistry 2 (8), 644-647, 2010 | 66 | 2010 |
| Isolation of (CO)1– and (CO2)1– Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization M Fang, JH Farnaby, JW Ziller, JE Bates, F Furche, WJ Evans Journal of the American Chemical Society 134 (14), 6064-6067, 2012 | 60 | 2012 |
| Fully relativistic complete active space self-consistent field for large molecules: Quasi-second-order minimax optimization JE Bates, T Shiozaki The Journal of chemical physics 142 (4), 2015 | 50 | 2015 |
| Beyond the RPA and GW methods with adiabatic xc-kernels for accurate ground state and quasiparticle energies T Olsen, CE Patrick, JE Bates, A Ruzsinszky, KS Thygesen npj Computational Materials 5 (1), 106, 2019 | 43 | 2019 |
| Nonlocal energy-optimized kernel: Recovering second-order exchange in the homogeneous electron gas JE Bates, S Laricchia, A Ruzsinszky Physical Review B 93 (4), 045119, 2016 | 41 | 2016 |
| Dinitrogen reduction, sulfur reduction, and isoprene polymerization via photochemical activation of trivalent bis (cyclopentadienyl) rare-earth-metal allyl complexes ME Fieser, CW Johnson, JE Bates, JW Ziller, F Furche, WJ Evans Organometallics 34 (17), 4387-4393, 2015 | 39 | 2015 |
| Dinitrogen reduction via photochemical activation of heteroleptic tris (cyclopentadienyl) rare-earth complexes ME Fieser, JE Bates, JW Ziller, F Furche, WJ Evans Journal of the American Chemical Society 135 (10), 3804-3807, 2013 | 37 | 2013 |
| From semilocal density functionals to random phase approximation renormalized perturbation theory: A methodological assessment of structural phase transitions N Sengupta, JE Bates, A Ruzsinszky Physical Review B 97 (23), 235136, 2018 | 35 | 2018 |
Filipp FurcheProfessor of Chemistry, University of California, IrvineVerified email at uci.edu
