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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Feb-2023	Compound5_2Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3874.40798888; Eh
9-Feb-2023	Compound5_1Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	RB3LYP	DEF2SVP	-3866.97828165; Eh
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

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