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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2024	Int2_SM9	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1510.46017170; Eh
	6-Sep-2024	/M06L/W W06O22-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	29-Jul-2024	P2b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-477.345084450; Eh
	29-Jul-2024	P2c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-477.328549684; Eh
	29-Jul-2024	P3a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-519.839545417; Eh
	10-Oct-2024	/References C2H2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-22.95023947; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_269 disp_269	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61489725; eV
	5-Nov-2024	/N3C_vacancy_formation a4_PtCl3_H3_Cl2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1931.06055762; eV
	5-Nov-2024	/N3C_vacancy_formation a5_PtCl3_N2C_vac	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1909.31107249; eV
	5-Nov-2024	/N3C_vacancy_formation a6_PtCl3_N3C_vac	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1909.29201564; eV

Results 251-260 of 100134 (Search time: 0.004 seconds).