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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 CONF12	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.5512056; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF1	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.5535037; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF11_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	-	-1010.04733934; -1010.04732499; -1010.04720374; -1010.04711168; -1010.04680515; -1010.04675835; -1010.04676433; -1010.04672813; -1010.04671453; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF32_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	cpcm	-1010.14456301; -1010.14466876; -1010.14467541; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/gas CONF1_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point	DFT	-	-1010.05441028; -1010.05441817; -1010.05442203; -1010.05442906; -1010.05442335; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF85_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	-1010.14050141; -1010.14119928; -1010.14219895; -1010.14333175; -1010.14369048; -1010.14391616; -1010.14441515; -1010.14413369; -1010.14411706; -1010.14415105; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF77_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	-1010.14511382; -1010.14512158; -1010.14502789; -1010.14479840; -1010.14493923; -1010.14506626; -1010.14562304; -1010.14580277; -1010.14577993; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF83_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	-1010.14479647; -1010.14487544; -1010.14517188; -1010.14576152; -1010.14588710; -1010.14580618; -1010.14572581; -1010.14546751; -1010.14548996; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF81	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.6385125; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/acidity/water CONF83	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1012.639156; Eh

Results 400941-400950 of 402241 (Search time: 0.198 seconds).