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Calculation of Metallocene Ionization Potentials via Auxili..:
Rudshteyn, Benjamin
;
Weber, John L.
;
Coskun, Dilek
...
Journal of Chemical Theory and Computation. 18 (2022) 5 - p. 2845-2862 , 2022
Link:
https://doi.org/10.1021/acs.jctc.1c01071
RT Journal T1 <Title>Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c01071&Exemplar=1&LAN=DE A1 Rudshteyn, Benjamin A1 Weber, John L. A1 Coskun, Dilek A1 Devlaminck, Pierre A. A1 Zhang, Shiwei A1 Reichman, David R. A1 Shee, James A1 Friesner, Richard A. PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 5 SP 2845 OP 2862 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c01071 DO https://doi.org/10.1021/acs.jctc.1c01071 SF ELIB - SuUB Bremen
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