| Reversible switching of organic diradical character via iron-based spin-crossover A Kawamura, J Xie, JN Boyn, KA Jesse, AJ McNeece, EA Hill, KA Collins, ... Journal of the American Chemical Society 142 (41), 17670-17680, 2020 | 37 | 2020 |
| Resolving correlated states of benzyne with an error-mitigated contracted quantum eigensolver SE Smart, JN Boyn, DA Mazziotti Physical Review A 105 (2), 022405, 2022 | 32 | 2022 |
| Intrinsic glassy-metallic transport in an amorphous coordination polymer J Xie, S Ewing, JN Boyn, AS Filatov, B Cheng, T Ma, GL Grocke, N Zhao, ... Nature 611 (7936), 479-484, 2022 | 30 | 2022 |
| Redox, transmetalation, and stacking properties of tetrathiafulvalene-2, 3, 6, 7-tetrathiolate bridged tin, nickel, and palladium compounds J Xie, JN Boyn, AS Filatov, AJ McNeece, DA Mazziotti, JS Anderson Chemical Science 11 (4), 1066-1078, 2020 | 27 | 2020 |
| Entangled electrons drive a non-superexchange mechanism in a cobalt quinoid dimer complex JN Boyn, J Xie, JS Anderson, DA Mazziotti The Journal of Physical Chemistry Letters 11 (12), 4584-4590, 2020 | 26 | 2020 |
| Quantum-classical hybrid algorithm for the simulation of all-electron correlation JN Boyn, AO Lykhin, SE Smart, L Gagliardi, DA Mazziotti The Journal of Chemical Physics 155 (24), 2021 | 23 | 2021 |
| Accurate singlet–triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation JN Boyn, DA Mazziotti The Journal of Chemical Physics 154 (13), 2021 | 23 | 2021 |
| Generation and Aerobic Oxidative Catalysis of a Cu (II) Superoxo Complex Supported by a Redox-Active Ligand ME Czaikowski, AJ McNeece, JN Boyn, KA Jesse, SW Anferov, AS Filatov, ... Journal of the American Chemical Society 144 (34), 15569-15580, 2022 | 19 | 2022 |
| Bright, modular, and switchable near-infrared II emission from compact tetrathiafulvalene-based diradicaloid complexes LE McNamara, JN Boyn, C Melnychuk, SW Anferov, DA Mazziotti, ... Journal of the American Chemical Society 144 (36), 16447-16455, 2022 | 16 | 2022 |
| Density functional theory transformed into a one-electron reduced-density-matrix functional theory for the capture of static correlation D Gibney, JN Boyn, DA Mazziotti The Journal of Physical Chemistry Letters 13 (6), 1382-1388, 2022 | 15 | 2022 |
| Toward a resolution of the static correlation problem in density functional theory from semidefinite programming D Gibney, JN Boyn, DA Mazziotti The Journal of Physical Chemistry Letters 12 (1), 385-391, 2020 | 15 | 2020 |
| Comparison of density-matrix corrections to density functional theory D Gibney, JN Boyn, DA Mazziotti Journal of Chemical Theory and Computation 18 (11), 6600-6607, 2022 | 10 | 2022 |
| Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate Complexes JN Boyn, LE McNamara, JS Anderson, DA Mazziotti The Journal of Physical Chemistry A 126 (21), 3329-3337, 2022 | 7 | 2022 |
| Universal generalization of density functional theory for static correlation D Gibney, JN Boyn, DA Mazziotti Physical Review Letters 131 (24), 243003, 2023 | 6 | 2023 |
| Probing pH-Dependent Dehydration Dynamics of Mg and Ca Cations in Aqueous Solutions with Multi-Level Quantum Mechanics/Molecular Dynamics Simulations JN Boyn, EA Carter Journal of the American Chemical Society 145 (37), 20462-20472, 2023 | 4 | 2023 |
| Sparse non-orthogonal wave function expansions from the extension of the generalized Pauli constraints to the two-electron reduced density matrix JN Boyn, DA Mazziotti The Journal of Chemical Physics 150 (14), 2019 | 4 | 2019 |
| Elucidating the molecular orbital dependence of the total electronic energy in multireference problems JN Boyn, DA Mazziotti The Journal of Chemical Physics 156 (19), 2022 | 3 | 2022 |
| Elucidating non-radiative decay in near-infrared lumiphores: Leveraging new design principles to develop a telecom band organic dye laser LE McNamara, C Melnychuk, JN Boyn, SW Anferov, DA Mazziotti, ... Chem, 2024 | 1 | 2024 |
| Selective Cobalt-Mediated Formation of Hydrogen Peroxide from Water under Mild Conditions via Ligand Redox Non-Innocence SW Anferov, JN Boyn, DA Mazziotti, JS Anderson Journal of the American Chemical Society 146 (9), 5855-5863, 2024 | 1 | 2024 |
| Characterizing the Mechanisms of Ca and Mg Carbonate Ion-Pair Formation with Multi-Level Molecular Dynamics/Quantum Mechanics Simulations JN Boyn, EA Carter The Journal of Physical Chemistry B 127 (50), 10824-10832, 2023 | 1 | 2023 |
David A. MazziottiProfessor of Chemistry, University of Chicago在 uchicago.edu 的电子邮件经过验证
