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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF35	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0440829; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF35_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.55674004; -1010.55673223; -1010.55669065; -1010.55666019; -1010.55660589; -1010.55655108; -1010.55658745; -1010.55659052; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF38_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.55808805; -1010.55803599; -1010.55799017; -1010.55798948; -1010.55799144; -1010.55799326; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF42_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.55862227; -1010.55860864; -1010.55861085; -1010.55859595; -1010.55858799; -1010.55859088; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF41_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-1010.55843377; -1010.55841847; -1010.55842017; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF61	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0433955; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF65	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0426593; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF58	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0433543; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF6	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0461231; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF59	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.04524; Eh

Results 400561-400570 of 402284 (Search time: 0.202 seconds).