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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 CONF104	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6399728; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF111	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6398251; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/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)	-1012.6409744; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF131	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6407227; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF11	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6407925; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF131_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.14562559; -1010.14549578; -1010.14551561; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF11_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.14858115; -1010.14859531; -1010.14861028; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF137_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	-1010.14404813; -1010.14407920; -1010.14410317; -1010.14410132; -1010.14413508; -1010.14413993; -1010.14416502; -1010.14416396; -1010.14419464; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF14_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	-1010.14004393; -1010.14024040; -1010.14037170; -1010.14067144; -1010.14115112; -1010.14100118; -1010.14108592; -1010.14111083; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF139	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6420393; Eh

Results 400451-400460 of 402296 (Search time: 0.262 seconds).