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Jan-Niklas Boyn
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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
202020
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
172020
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
162020
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
12*2022
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), 244106, 2021
122021
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), 134103, 2021
82021
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
72020
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), 144102, 2019
42019
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, 2022
12022
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, 2022
12022
Elucidating the molecular orbital dependence of the total electronic energy in multireference problems
JN Boyn, DA Mazziotti
The Journal of Chemical Physics 156 (19), 194104, 2022
12022
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
12022
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, 2022
2022
An Intrinsically Glassy Metallic Coordination Polymer Showing Thermally and Aerobically Robust Conductivity
J Anderson, J Xie, S Ewing, JN Boyn, B Cheng, A Filatov, T Ma, N Zhao, ...
2022
Reduced Density Matrix Methods for the Resolution of Electron Correlation and Their Applications to Bimetallic Complexes
JN Boyn
The University of Chicago, 2022
2022
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Articles 1–15