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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/basicity/water CONF49	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-784.0558185; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/water CONF50	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-784.0556921; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/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)	-784.0610906; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/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)	-784.062972; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/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)	-784.057148; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/water CONF47_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point	DFT	cpcm	-782.16616809; -782.16610560; -782.16603213; -782.16602087; -782.16603628; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/water CONF48_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	cpcm	-782.16723223; -782.16715322; -782.16711744; -782.16716763; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/water CONF5_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-782.16603716; -782.16599576; -782.16603577; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/water CONF61_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	-782.16402331; -782.16388665; -782.16360621; -782.16339951; -782.16345158; -782.16323781; -782.16322993; -782.16326172; -782.16332110; -782.16331042; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/basicity/water CONF60_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	-782.16460886; -782.16456554; -782.16435956; -782.16414052; -782.16246062; -782.16357033; -782.16332162; -782.16327283; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh

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