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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_P_SACs/M_sq_C5P3/Pt_sq_C5P3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-635.90096992; eV
	31-Jul-2023	/N_carbons/tr_C5N3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-651.10097602; eV
	29-Jul-2024	TSE2_SM15	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1284.02947989; Eh
	29-Jul-2024	TSE2_SM14	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-944.918798273; Eh
	29-Jul-2024	TSE2_SM11	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1053.22532087; Eh
	29-Jul-2024	TSE2_SM5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1023.11071178; Eh
	28-Aug-2024	SP_tsc60cn_attack3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-
	11-Sep-2024	IIId	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD 6-31G(D,P) GENECP	-1235.53043742; Eh
	11-Sep-2024	IVd	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD 6-31G(D,P) GENECP	-1235.53107451; Eh
	11-Sep-2024	VId	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD 6-31G(D,P) GENECP	-1235.56580017; Eh

Results 101-110 of 100134 (Search time: 0.001 seconds).