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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Aug-2024	C60	Cui, Chengxing	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	6-31G(D,P)	-2285.45607860; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_054 disp_054	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61309135; eV
	8-Nov-2024	26-TpBr_3Ag_C-p-CF3Ph-CO2CH2CF3	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2133.62928148; Eh
	8-Nov-2024	25-TpBr_3Ag_C-Ph-CO2Et	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1498.88730986; Eh
	28-Aug-2024	cnoac_rad_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-359.983290569; Eh
	28-Aug-2024	fl_cat	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-771.033001129; Eh
	6-Sep-2024	/M06L/W W04O15-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	8-Nov-2024	00-TpBrCF3_2Ag_CHCO2Et	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3214.56317628; Eh
	8-Nov-2024	01-TpBrCF3_2Ag_CHCF3	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3284.37224078; Eh
	8-Nov-2024	03-TpBrCF3_2Ag	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2908.13217373; Eh

Results 2141-2150 of 100136 (Search time: 0.004 seconds).