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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Dec-2022	/mechanism_and_profile/I0Nu I0Nu-1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2699.62152651; Eh
	26-Dec-2022	/mechanism_and_profile/I0Nu I0Nu-1_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2700.4894914; Eh
	26-Dec-2022	/mechanism_and_profile/TS4 TS4s_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2883.5023161; Eh
	1-Mar-2023	/Minima_Calculations/W05O17H2_intlindqvist2 W05O17H2_intlindqvist2	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-7.39919010; Eh
	1-Mar-2023	/Minima_Calculations/W05O18H1_intC W05O18H1_intC	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-7.96309133; Eh
	1-Mar-2023	/Minima_Calculations/W12O40H1_intkeg W12O40H1_intkeg	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-17.46591036; Eh
	1-Mar-2023	/Minima_Calculations/W10O32H0_int W10O32H0_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-13.86667741; Eh
	1-Mar-2023	/Minima_Calculations/W12O42H1_intpara W12O42H1_intpara	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-18.41307025; Eh
	1-Mar-2023	/Minima_Calculations/W03O11H0_intlineal W03O11H0_intlineal	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-4.87660839; Eh
	1-Mar-2023	/TransitionState_Calculations/cyclic_h3w3o11_ts2 cyclic_h3w3o11_ts2	Petrus, Enric	ADF; 2019; 302	Transition state	PBE	TZP	-

Results 28241-28250 of 101944 (Search time: 0.017 seconds).