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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Bulk_structure/W/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-4.05722773; eV
	2-Jul-2025	/Bulk_structure/W W	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-19732.82242268; eV
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo02O10-6H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo02O10-7H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo02O07-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Aug-2025	/funcionais/b2plyp/OH2 opt_se-met_2OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pVTZ; aug-cc-pVTZ/C	-2632.18498417; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/intermediario_O opt_intermediario_O	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-2556.69909649; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/Cl_SH opt_se-met_Cl-SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-3340.55539865; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/SH2 opt_se-met_2SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-3279.12665449; Eh
	26-Aug-2025	/funcionais/b2plyp/OH opt_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pVTZ; aug-cc-pVTZ/C	-75.69029994; Eh

Results 3111-3120 of 101944 (Search time: 0.005 seconds).