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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/acidity/water CONF9_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.14889432; -1010.14876194; -1010.14869248; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF12_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	-	-1010.04920031; -1010.04917153; -1010.04915007; -1010.04916321; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF129_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-1010.05295940; -1010.05290955; -1010.05290907; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF30	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.5501458; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF32	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.554045; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF29	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.5494289; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF3	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.5541846; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF30_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; Single point; Single point	DFT	-	-1010.05037877; -1010.05036066; -1010.05038010; -1010.05041574; -1010.05051460; -1010.05068576; -1010.05085217; -1010.05094435; -1010.05092658; -1010.05091498; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF27_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; Single point	DFT	-	-1010.05069842; -1010.05063569; -1010.05061815; -1010.05061872; -1010.05062109; -1010.05066068; -1010.05072177; -1010.05072363; -1010.05072629; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF29_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	-	-1010.04934290; -1010.04922683; -1010.04892310; -1010.04895114; -1010.04903679; -1010.04904480; -1010.04903737; -1010.04903163; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh

Results 400491-400500 of 402296 (Search time: 0.226 seconds).