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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-bpinpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-725.2359454; Eh
	9-Nov-2018	/water//water complexes aq-brpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-484.6934625; Eh
	9-Nov-2018	/water//water complexes aq-brmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-343.3544509; Eh
	9-Nov-2018	/vacuum/complexes heZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.42364356; Eh
	9-Nov-2018	/vacuum/complexes imidazolalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1849.52878386; Eh
	9-Nov-2018	/vacuum/complexes heznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-269.662518643; Eh
	19-Jun-2023	/HCOO-stabilization PdMLPt(111)-(3x3)-Clean-H-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-287.87278296; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS26_VII TSS26-VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1885.00369202; Eh
	27-Jun-2023	SP_tsArot	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1671.224423; Eh
	9-Nov-2018	/water//water complexes aq-bpinfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-831.4895018; Eh

Results 21951-21960 of 103529 (Search time: 0.014 seconds).