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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_tr_C5P3/Rh_tr_C5P3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-646.24465424; eV
	6-Sep-2024	/M06L/W W11O40-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	28-Aug-2024	tsc60cn_kcn4_attack2_rad_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-7343.75331093; Eh
	28-Aug-2024	tsc120cn_2c_kcn4_radan_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D)	-7344.02189551; Eh
	28-Aug-2024	tsc120cn_4c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-4665.51517198; Eh
	29-Jul-2024	TSD3-chair	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1090.06129570; Eh
	29-Jul-2024	TSE10	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1114.19757152; Eh
	29-Jul-2024	TSE11	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1114.18517699; Eh
	28-Aug-2024	SP_c60cn_kcn4_radcat_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM062X	6-311+G(D,P)	-5057.0970976; Eh
	28-Aug-2024	SP_tsc120cn_3c_dissoc_an	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-

Results 1911-1920 of 100136 (Search time: 0.004 seconds).