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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/M06_BS1_optimized_structures m06_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) SDDALL GEN	-2741.27305231; Eh
	22-Mar-2020	/M06_BS1_optimized_structures ga_m06_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) GEN	-532.773931951; Eh
	22-Mar-2020	/M06_BS1_optimized_structures ga_m06_dmadprodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) SDDALL GEN	-2965.91065349; Eh
	9-Feb-2021	H2PtV6-opt	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2869.84225742; Eh
	9-Feb-2021	siw11pt-opt-1-freq	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31G(D,P) LANL2DZ GEN	-4166.08376540; Eh
	9-Feb-2021	siw11pt-5H-4e-H2-S1-freq	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31G(D,P) LANL2DZ GEN	-4168.97030752; Eh
	30-Jun-2021	/solvent H3O+_n=1	Ortuño Maqueda, Manuel Angel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) GEN	-76.6705201505; Eh
	30-Jun-2021	/initial_complexes Complex_2_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-3970.46102595; Eh
	30-Jun-2021	/initial_complexes Complex_3_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-1771.62565844; Eh
	30-Jun-2021	/initial_complexes Complex_11_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-777.632056207; Eh

Results 201-210 of 540 (Search time: 0.001 seconds).