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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-bpinrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1944.3659113; Eh
	9-Nov-2018	/vacuum/complexes hetame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-219.264385720; Eh
	9-Nov-2018	/water//water complexes aq-brcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-326.3247543; Eh
	9-Nov-2018	/vacuum/complexes herush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1693.07921696; Eh
	9-Nov-2018	/vacuum/complexes heticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1441.69923747; Eh
	6-Aug-2020	/freq/interactions/Ir Br_1	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-299.07329432; eV
	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
	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
	9-Nov-2018	/water//water complexes aq-brircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-917.5622149; Eh

Results 14471-14480 of 104583 (Search time: 0.01 seconds).