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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Feb-2023	Compound3_2Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3874.40213934; Eh
	9-Feb-2023	Compound3_1Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3866.99685704; Eh
	9-Feb-2023	Compound6_1Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3395.51738378; Eh
	9-Feb-2023	Compound6_2Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3402.95733330; Eh
	9-Feb-2023	Compound4_1Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3395.50925196; Eh
	9-Feb-2023	Compound4_2Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3402.91626469; Eh
	28-Feb-2024	GEOM15_Fluoroethoxide	montilla, marc	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBP86	DEF2SVP	-451.920768245; Eh
	28-Feb-2024	GEOM16_Substrate	montilla, marc	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBP86	DEF2SVP	-745.609927812; Eh
	28-Feb-2024	GEOM06_LigandExchange_Ni4	montilla, marc	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBP86	DEF2SVP	-2837.69275765; Eh
	28-Feb-2024	GEOM08_IRC_Ni4	montilla, marc	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UBP86	DEF2SVP	-2837.70059445; Eh

Results 11-20 of 32 (Search time: 0.0 seconds).