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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-BF3/gas CONF19_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-781.69181423; -781.69186954; -781.69185893; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF21_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-781.69171105; -781.69170889; -781.69170972; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF2_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point	DFT	-	-781.69580095; -781.69578617; -781.69577938; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF35	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.5945706; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF36	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.5927521; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF37	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.593825; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF38	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-783.592223; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF36_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	-	-781.68800247; -781.68800968; -781.68798764; -781.68800844; -781.68798787; -781.68796863; -781.68797133; -781.68796090; -781.68794917; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF37_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	-	-781.69269912; -781.69256542; -781.69214221; -781.69218224; -781.69228330; -781.69224499; -781.69217933; -781.69217242; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-BF3/gas CONF38_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	-	-781.68988813; -781.68989200; -781.68991336; -781.68985034; -781.68990760; -781.68989163; -781.68989254; -781.68988832; Eh; Eh; Eh; Eh; Eh; Eh; Eh; Eh

Results 401491-401500 of 402241 (Search time: 0.209 seconds).