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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3hcooo-ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-344.225750539; Eh
	4-Sep-2023	bmkSP_I1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	6-311+G(D,P) SDD GENECP	-1060.2275016; Eh
	23-Sep-2022	/cm5 ptBuPh_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-643.1419509; Eh
	23-Sep-2022	/cm5 pOMePh_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-600.393246; Eh
	23-Sep-2022	/cm5 ptBuPhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-684.8374139; Eh
	23-Sep-2022	/cm5 pOMePhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-642.0870316; Eh
	6-Feb-2025	/Ru(tda)_py2/anchoring/2H_O_neg O_neg_2H	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP; TZP	-823.793660; eV
	6-Feb-2025	/Ru(tda)_py2/anchoring/4H_O_neg O_neg_4H	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP; TZP	-824.261037; eV
	25-Jun-2024	/Intermediates/Cu/110 C4H10S_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-329.81720542; eV
	25-Jun-2024	/Intermediates/Cu/110 C4H8S_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-322.37391884; eV

Results 28591-28600 of 103542 (Search time: 0.016 seconds).