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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF54	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.1804684; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF47	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.1827252; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF48	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.1821993; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF5	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.1859735; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF50_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-781.27653766; -781.27655322; -781.27653296; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF5_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-781.27956524; -781.27955798; -781.27953313; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF57_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	cpcm	-781.27129858; -781.27130561; -781.27105827; -781.27100147; -781.27086009; -781.27062726; -781.27029288; -781.27037332; -781.27036584; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF59_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	-781.27022873; -781.27036415; -781.27075840; -781.27110276; -781.27109545; -781.27141475; -781.27128912; -781.27128422; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF55	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.1811881; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/acidity/water CONF57	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.1821951; Eh

Results 401461-401470 of 402241 (Search time: 0.21 seconds).