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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/water CONF59	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0899652; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/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)	-1013.0898543; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF7	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0896549; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF6	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0905406; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF54_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point	DFT	cpcm	-1010.60750579; -1010.60755782; -1010.60745168; -1010.60741107; -1010.60741212; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF59_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.60803328; -1010.60802564; -1010.60800327; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF7_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.60916496; -1010.60917761; -1010.60919191; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF6_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.61216586; -1010.61217661; -1010.61218247; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF133	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0397715; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF142	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0420556; Eh

Results 400531-400540 of 402284 (Search time: 0.233 seconds).