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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3seh-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2518.00763746; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1925.838213; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1265.2606954; Eh
	9-Nov-2018	/vacuum/complexes h2srhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-890.995240447; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-437.5679603; Eh
	5-Nov-2018	c00015	Chuong Nguyën, Huu	QuantumEspresso; 6.1	Geometry optimization	pbe	Ultrasoft	-208217.305905; eV
	5-Nov-2018	c00017	Chuong Nguyën, Huu	QuantumEspresso; 6.1	Geometry optimization	pbe	Ultrasoft	-208217.305905; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_OMe_Cpstar III_OMe_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1318.5641385; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1453.6645824; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-837.4696512; Eh

Results 14821-14830 of 104583 (Search time: 0.011 seconds).