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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Oct-2024	/Principal_dataset/3h 3h-f-anion	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-2770.62125226; Eh
	10-Oct-2024	/Principal_dataset/3h 3h-f	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-2773.32601138; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-anion_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-2311.73484871; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-cation_water__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-2314.51747188; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-anion_water__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-2311.75064696; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-anion_dmso__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-2311.72489643; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f_dmso__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-2313.68642630; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-cation_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-2314.78491411; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-cation_water	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-2314.77677614; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-2313.94730196; Eh

Results 384741-384750 of 397032 (Search time: 0.242 seconds).