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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/gas CONF132	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0436904; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF134	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0409498; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF131_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	-	-1010.55462628; -1010.55470878; -1010.55498705; -1010.55500561; -1010.55495763; -1010.55487573; -1010.55486235; -1010.55487244; -1010.55487148; -1010.55486599; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF132_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	-	-1010.55766261; -1010.55765703; -1010.55719201; -1010.55728323; -1010.55744544; -1010.55742613; -1010.55735177; -1010.55737919; -1010.55740864; -1010.55741632; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF142_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	DFT	-	-1010.55579643; -1010.55580557; -1010.55575802; -1010.55574683; -1010.55568083; -1010.55564664; -1010.55563633; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF133_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-1010.55075381; -1010.55069888; -1010.55070632; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/gas CONF134_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-1010.55193202; -1010.55193195; -1010.55192895; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/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; Single point	DFT	cpcm	-1010.60284929; -1010.60294763; -1010.60313562; -1010.60357827; -1010.60355819; -1010.60362722; -1010.60365047; -1010.60376154; -1010.60386524; -1010.60387049; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/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; Single point	DFT	cpcm	-1010.60840822; -1010.60846866; -1010.60855959; -1010.60881710; -1010.60882380; -1010.60877018; -1010.60869396; -1010.60860738; -1010.60856343; -1010.60857795; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/9H2O/9Agua-BF3/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)	-1013.0901492; Eh

Results 400541-400550 of 402296 (Search time: 0.205 seconds).