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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-ch3-hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-216.4576256; Eh
	9-Nov-2018	/vacuum/complexes h2sconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-827.092825154; Eh
	9-Nov-2018	/noDisp/complexes sin-coaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1629.7198629; Eh
	9-Nov-2018	/vacuum/complexes h2scro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-712.092266601; Eh
	9-Nov-2018	/noDisp/complexes sin-shfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1903.5633609; Eh
	5-Nov-2018	_CN_hollow	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-193.52181153; eV
	13-Apr-2023	/CO2-activation-5H2O PdMLPt(111)-(3x3)-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-283.76753429; eV
	26-Aug-2024	geom223_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.961832; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1770.5660888; Eh
	9-Nov-2018	/noDisp/complexes sin-shcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.6783915; Eh

Results 15201-15210 of 104583 (Search time: 0.011 seconds).