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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Sep-2024	/B3LYP/PMo P01Mo09O34-3H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
29-Aug-2024	/NF-SOL NF-SOL-Comp	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-661.449801069; Eh
29-Aug-2024	/NF-SOL NF-SOL-INT	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.53951883; Eh
29-Aug-2024	/NF-SOL NF-SOL-P2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-903.852683385; Eh
29-Aug-2024	/NF-SOL NF-SOL-RA	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.52964459; Eh
29-Aug-2024	/NF-SOL NF-SOL-PA	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.54287775; Eh
29-Aug-2024	/NF-SOL NF-SOL-TS1	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1209.51823635; Eh
29-Aug-2024	/NF-BM NF-BM-Comp	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1786.21073709; Eh
29-Aug-2024	/NF-BM NF-BM-RA2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1441.16962704; Eh
29-Aug-2024	/NF-BM NF-BM-INT	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1441.17150675; Eh

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