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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/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)	-458.3197516; Eh
	18-Jun-2026	/6H2O/6Agua-solo/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)	-458.3184485; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/water CONF10_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	cpcm	-457.22892965; -457.22886649; -457.22887954; -457.22884882; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/gas CONF7_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point; Single point	DFT	-	-457.11807059; -457.11800911; -457.11804930; -457.11808237; -457.11805058; -457.11804150; Eh; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/gas CONF9_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point; Single point	DFT	-	-457.11529778; -457.11532544; -457.11532902; -457.11528609; -457.11527797; Eh; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/gas CONF8_orca	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Orca; 5.0.3; RELEASE	Single point; Single point; Single point; Single point	DFT	-	-457.11817201; -457.11811585; -457.11815211; -457.11816141; Eh; Eh; Eh; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/water CONF48	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-458.4180716; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/water CONF49	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-458.4147728; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/water CONF46	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-458.4160673; Eh
	18-Jun-2026	/6H2O/6Agua-solo/acidity/water CONF47	Lamsabhi, Al Mokhtar; Yáñez, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	B3LYP	6-311+G(D,P) 6-311+G(3DF,2P)	-458.4160775; Eh

Results 401621-401630 of 401714 (Search time: 0.245 seconds).