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1 Ergebnisse
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Accurate Quantum Chemical Calculation of Ionization Potenti..:
Li, Guangqi
;
Rudshteyn, Benjamin
;
Shee, James
...
Journal of Chemical Theory and Computation. 16 (2020) 4 - p. 2109-2123 , 2020
Link:
https://doi.org/10.1021/acs.jctc.9b00875
RT Journal T1 <Title>Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.9b00875&Exemplar=1&LAN=DE A1 Li, Guangqi A1 Rudshteyn, Benjamin A1 Shee, James A1 Weber, John L. A1 Coskun, Dilek A1 Bochevarov, Art D. A1 Friesner, Richard A. PB American Chemical Society (ACS) YR 2020 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 16 IS 4 SP 2109 OP 2123 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.9b00875 DO https://doi.org/10.1021/acs.jctc.9b00875 SF ELIB - SuUB Bremen
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