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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2024	TSE7dN	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1073.61565639; Eh
	6-Sep-2024	/M06L/W W12O42-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	10-Sep-2024	Pt_NH3_2_keto3S_h_cl_met	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1977.71315152; eV
	29-Jul-2024	TSE5N-CC	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1074.10394853; Eh
	29-Jul-2024	TSE5cN	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1074.08294748; Eh
	29-Jul-2024	TSE5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1074.09077197; Eh
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N2/Ru_sq_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-627.86647543; eV
	10-Sep-2024	Pt_NH3_2_1S_h-cl-metal	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2018.53907422; eV
	10-Sep-2024	Pt_NH3_2_1S_acet_metal	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2033.88940232; eV
	29-Jul-2024	TSE5c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1074.08303516; Eh

Results 2241-2250 of 100136 (Search time: 0.004 seconds).