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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2024	67-Rh2-Ac4-C-Ph-CO2Et	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1670.72790035; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_085 disp_085	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61074475; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_117 disp_117	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60804134; eV
	8-Nov-2024	22-TpBrCF3_2Ag_C-pCF3Ph-CO2CH2CF3	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4080.41118051; Eh
	8-Nov-2024	23-TpF27Ag_C-pCF3Ph-CO2CH2CF3	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-5396.61077596; Eh
	8-Nov-2024	21-TpBrCF3_2Ag_C-Ph-CO2Et	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3445.67411274; Eh
	6-Sep-2024	/M06L/W W01O06-8H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	8-Nov-2024	24-TpF27Ag_C-Ph-CO2Et	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4761.87262562; Eh
	8-Nov-2024	20-TpBrCF3_2Ag_CHCF3	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3284.37200683; Eh
	6-Sep-2024	/M06L/W W03O10-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-

Results 311-320 of 100136 (Search time: 0.004 seconds).