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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2025	/funcionais/m06/OH2 opt_se-met_2OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	6-311+g(d)	-2632.47049874; Eh
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/intermediario_O opt_intermediario_O	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-2553.97226535; Eh
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/SH2 opt_se-met_2SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-3275.34888296; Eh
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/OH_SH opt_se-met_OH-SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-2952.68063518; Eh
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/Cl2 opt_se-met_2Cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-3398.17204658; Eh
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/HCl opt_HCl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-460.10746071; Eh
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/SH opt_SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-398.14527962; Eh
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/Cl opt_Cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-459.57348135; Eh
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_007 disp_007	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42913116; eV
	2-Jul-2025	/Bulk_structure/W/phonon phonon	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-4.05722773; eV

Results 3101-3110 of 101821 (Search time: 0.004 seconds).