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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Sep-2020	/Gaussian 4EXP	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RM06L	DEF2TZVP/W06	-
	11-Sep-2020	/Gaussian TS5Abpy	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RM06L	DEF2TZVP/W06	-
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) SDDALL GEN	-2433.92229604; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) SDDALL GEN	-2742.30222424; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06L	6-31G(D,P) SDDALL GEN	-2742.27443030; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) GEN	-308.356877978; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures ga_m06l_dmadtsarr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06L	6-31G(D,P) SDDALL GEN	-2966.95081031; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures ga_m06l_dmadprod	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) SDDALL GEN	-2966.97467237; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures ga_m06l_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) GEN	-533.024376520; Eh
	25-Feb-2021	//ht_paper_misc h2_h2o_m06l//ht_paper_misc/h2_h2o_m06l H2O m06l-H2O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RM06L	6-31G(D,P) 6-31+G(D) GEN	-76.4338163730; Eh

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