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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Sep-2022	/pre-catalysts cat-6	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1232.62837899; Eh
	14-Sep-2022	/pre-catalysts cat-7	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1232.59667250; Eh
	21-Feb-2022	/pre-catalysts cat-2	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1348.38872323; Eh
	21-Feb-2022	/silane_reactivity TSb	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1756.79159367; Eh
	21-Feb-2022	/pre-catalysts cat-4	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1119.23294145; Eh
	21-Feb-2022	/silane_reactivity TSd	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1681.52939476; Eh
	21-Feb-2022	/silane_reactivity TSc	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1871.37847893; Eh
	21-Feb-2022	/silane_reactivity TSa	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1642.20206882; Eh
	21-Feb-2022	/pre-catalysts cat-5	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1118.75137696; Eh
	21-Feb-2022	/pre-catalysts cat-3	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1347.90778363; Eh

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