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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2021	/GeomOpt_wB97XD M12	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2336556; Eh
	28-Feb-2021	/GeomOpt_wB97XD M7	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	GEN	-3959.23408203; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1359.7370515; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_wb97xd_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	GEN	-1588.8084476; Eh
	24-Nov-2022	/TS-C-C-coupling Displacement-TS-CC-from-2-back	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-3054.96281935; Eh
	24-Nov-2022	/Coupling-products Opt-Freq-RfI	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-1459.64690678; Eh
	24-Nov-2022	/Coupling-products Opt-Freq-RfCl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-1908.41459367; Eh
	24-Nov-2022	/Gold-III-species-and-intermediates Opt-Freq-2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-3054.96281935; Eh
	24-Nov-2022	/TS-C-X-coupling TS-CCl-from-4Cl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-2964.34380579; Eh
	24-Nov-2022	/Gold-III-species-and-intermediates Opt-Freq-4Cl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-2964.39783134; Eh

Results 321-330 of 908 (Search time: 0.001 seconds).