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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/3n 3n-f-cation_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1663.74652972; Eh
	10-Oct-2024	/Principal_dataset/3n 3n-f-anion_water	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1660.95821450; Eh
	10-Oct-2024	/Principal_dataset/3n 3n-f_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1662.90162885; Eh
	10-Oct-2024	/Principal_dataset/3n 3n-f_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1662.90254749; Eh
	10-Oct-2024	/Principal_dataset/3o 3o-f_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1780.73583428; Eh
	10-Oct-2024	/Principal_dataset/3n 3n-f	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1662.85509470; Eh
	10-Oct-2024	/Principal_dataset/3m 3m-f-anion_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1929.59794040; Eh
	10-Oct-2024	/Principal_dataset/3m 3m-f_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1931.54713628; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f_water__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1965.25267869; Eh
	10-Oct-2024	/Principal_dataset/3m 3m-f-anion_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1929.86175817; Eh

Results 384701-384710 of 397032 (Search time: 0.235 seconds).