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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1588.8084476; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1462.4149511; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_wb97xd_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	GEN	-1462.4149511; Eh
	24-Nov-2022	/TS-C-C-coupling TS-CC-from-2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-3054.91625334; Eh
	24-Nov-2022	/Coupling-products Opt-Freq-AuCl2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-1055.97520093; Eh
	24-Nov-2022	/Coupling-products Opt-Freq-Rf2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-2896.53500438; Eh
	24-Nov-2022	/TS-C-X-coupling TS-CI-from-3	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-4491.72957182; Eh
	24-Nov-2022	/Gold-III-species-and-intermediates Opt-Freq-3	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-4491.80968505; Eh
	24-Nov-2022	/Gold-III-species-and-intermediates Opt-Freq-2cl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-3952.49268001; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1155.2101978; Eh

Results 331-340 of 950 (Search time: 0.002 seconds).