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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 CONF42	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6420578; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF4	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6413187; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF36_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	cpcm	-1010.14308785; -1010.14305319; -1010.14290655; -1010.14287557; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF33_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.14482207; -1010.14480037; -1010.14478587; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF4_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.14584724; -1010.14579861; -1010.14577550; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF53_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	-1010.14471627; -1010.14498960; -1010.14512479; -1010.14492171; -1010.14539122; -1010.14565090; -1010.14600465; -1010.14613557; -1010.14612930; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF7_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	-1010.14860955; -1010.14907782; -1010.14983337; -1010.15034891; -1010.15065245; -1010.15098830; -1010.15126670; -1010.15126122; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF53	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6404647; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF74	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6373567; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF77	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6391332; Eh

Results 400471-400480 of 402296 (Search time: 0.233 seconds).