Jefferson E. Bates
Jefferson E. Bates
Verified email at appstate.edu
TitleCited byYear
Electron correlation methods based on the random phase approximation
H Eshuis, JE Bates, F Furche
Theoretical Chemistry Accounts 131 (1), 1084, 2012
3242012
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
1882013
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
1502013
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, 2014
1142014
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
1112012
Communication: Random phase approximation renormalized many-body perturbation theory
JE Bates, F Furche
The Journal of chemical physics 139 (17), 171103, 2013
822013
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
692016
Harnessing the meta-generalized gradient approximation for time-dependent density functional theory
JE Bates, F Furche
The Journal of chemical physics 137 (16), 164105, 2012
542012
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
522017
(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
512011
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, 2013
502013
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
502011
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, 2010
442010
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
352012
Synthesis, structure, and physical properties for a series of trigonal bipyramidal M II–Cl complexes with intramolecular hydrogen bonds
NS Sickerman, YJ Park, GKY Ng, JE Bates, M Hilkert, JW Ziller, F Furche, ...
Dalton Transactions 41 (15), 4358-4364, 2012
242012
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
232013
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
202016
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), 044112, 2015
182015
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
162015
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
132018
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