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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2025	/System_B_without_the_silyl_group BTS1	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1986.40087306; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bd	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1577.22032647; Eh
	10-Sep-2025	/System_B_without_the_silyl_group BTS2	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.16408829; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Be	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.18189014; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bc	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-1986.42752245; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Ba	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-872.754233927; Eh
	12-Nov-2025	/Tc2OCln-2H2O/Tc2OCl10/Tc2OCl10_XC_functional_GGA-PBE/Tc2OCl10_singlet/Tc2OCl10_singlet_openshell Tc2OCl10_singlet_openshell	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-73.724761; eV
	12-Nov-2025	/Tc2OCln-2H2O/Tc2OCl10K4/Tc2OCl10K4_seplet Tc2OCl10K4_seplet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-70.923936; eV
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo08O35-15H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O37-15H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-

Results 4541-4550 of 101953 (Search time: 0.005 seconds).