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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2026	/6H2O/6Agua-solo/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)	-458.8628738; Eh
	18-Jun-2026	/6H2O/6Agua-solo/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)	-458.8628728; Eh
	18-Jun-2026	/4H2O/4H2O-BF3/gas 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)	-630.624933; Eh
	18-Jun-2026	/4H2O/4H2O-BF3/gas CONF2_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	-	-629.11203812; -629.11204869; -629.11211469; -629.11224890; -629.11239326; -629.11244972; -629.11247254; -629.11247452; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/4H2O/4H2O-BF3/gas CONF3_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	-	-629.11300610; -629.11301121; -629.11301044; -629.11301339; -629.11301109; -629.11301192; -629.11301209; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-solo/gas CONF62_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-457.67392055; -457.67395184; -457.67400241; -457.67403471; -457.67413940; -457.67413796; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-solo/gas CONF9_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	-	-457.68001363; -457.68002410; -457.68001594; -457.68001438; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-solo/gas CONF8_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-457.68003733; -457.68003619; -457.68004985; Eh; Eh; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas CONF40	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-1013.0441119; Eh
	18-Jun-2026	/9H2O/7H2O-OH-H3O-BF3/gas 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)	-1013.0469742; Eh

Results 400431-400440 of 402296 (Search time: 0.243 seconds).