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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/gas CONF4_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	-	-1010.04893477; -1010.04889223; -1010.04889153; -1010.04888842; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF34_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-1010.05193111; -1010.05187520; -1010.05187617; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF80	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.549191; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF8	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.551732; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF9	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.5539395; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF10	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0899216; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/water CONF10_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	cpcm	-1010.60856747; -1010.60847115; -1010.60837850; -1010.60835556; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF73_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.04965588; -1010.04961501; -1010.04955663; -1010.04952722; -1010.04947585; -1010.04946712; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF9_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.05693361; -1010.05691818; -1010.05692536; -1010.05692651; -1010.05693128; -1010.05690870; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF80_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.05174648; -1010.05168110; -1010.05170125; -1010.05163765; -1010.05163290; Eh; Eh; Eh; Eh; Eh

Results 400971-400980 of 402241 (Search time: 0.205 seconds).