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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Feb-2022	/silane_reactivity TSf	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1796.11762471; Eh
	21-Feb-2022	/silane_reactivity TSe	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1720.85851205; 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	/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
	27-Sep-2021	SCO_B3LYP_S7_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UB3LYP	DEF2TZVP	-5117.50524376; Eh
	27-Sep-2021	SCO_B3LYP_S6_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UB3LYP	DEF2TZVP	-3114.14175826; Eh
	27-Sep-2021	SCO_B3LYP_S18_LS_OLD	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UB3LYP	DEF2TZVP	-2832.23878577; Eh
	27-Sep-2021	SCO_B3LYP_S16_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UB3LYP	DEF2TZVP	-2642.48468306; Eh
	27-Sep-2021	SCO_B3LYP_S16_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UB3LYP	DEF2TZVP	-2642.48574547; Eh

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