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38,39,57 In other words, rather than shifting spectra with respect to experiment, as is required in TD-. DFT calculations using B3LYP or CAM- ...
An Alternative Variable Valve Timing System for Heavy Duty Vehicles... CAM-. B3LYP, and ?B97X-D, the latter group being markedly more accurate with the selected basis set; and (iv) the better overall performance ... Benchmarking DFT functionals for excited-state calculations ... - RUACAM-. B3LYP therefore appears suitable for use in experimental data assignment, whereas asymptotically uncorrected methods, exampled here by ... Conception et Annalyse mécanique (CAM)Overall, the TD-. DFT studies show that the PBE0 and CAM-B3LYP functionals outperform the other DFT functionals in the calculation of the excitation energy of ...
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