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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/7H2O-OH-H3O-BF3/gas CONF97	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0439194; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas CONF99	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0446897; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas CONF96	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0442869; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas CONF99_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.4; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.55911790; -1010.55910596; -1010.55902454; -1010.55908641; -1010.55918490; -1010.55920095; -1010.55919831; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas CONF97_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.4; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.55980044; -1010.55976862; -1010.55965232; -1010.55968853; -1010.55975732; -1010.55974361; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas CONF95_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.4; RELEASE	Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.56467457; -1010.56462277; -1010.56456272; -1010.56450226; -1010.56449953; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas CONF96_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.4; RELEASE	Single point; Single point; Single point	DFT	-	-1010.56465856; -1010.56461986; -1010.56461868; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF20_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	-1010.14958628; -1010.14961050; -1010.14957090; -1010.14969246; -1010.14970583; -1010.14969183; -1010.14968681; -1010.14969259; -1010.14972742; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF23	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6409354; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF20	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6409755; Eh

Results 400921-400930 of 402241 (Search time: 0.212 seconds).