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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/gas CONF8_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-1010.05326669; -1010.05326757; -1010.05326078; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF133_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	cpcm	-1010.59890106; -1010.59893698; -1010.59888836; -1010.59890448; -1010.59894281; -1010.59895363; -1010.59896451; -1010.59901028; -1010.59901664; -1010.59899954; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF146_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	cpcm	-1010.60272890; -1010.60269013; -1010.60245807; -1010.60216640; -1010.60218534; -1010.60229030; -1010.60225133; -1010.60227709; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF137	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0871887; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF146	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0871955; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF133	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0851805; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF134	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.087188; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF134_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	cpcm	-1010.60524329; -1010.60524753; -1010.60524476; -1010.60526048; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF131_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	cpcm	-1010.60277798; -1010.60286288; -1010.60295728; -1010.60293520; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF137_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.60227851; -1010.60233020; -1010.60229183; Eh; Eh; Eh

Results 400981-400990 of 402241 (Search time: 0.247 seconds).