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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-xerush4_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1705.6998948; Eh
	9-Nov-2018	/vacuum/complexes healcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1626.13851632; Eh
	9-Nov-2018	/noDisp/metal_frag sin-kb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-28.1499549; Eh
	13-Apr-2023	/CO2-activation-3H2O Pt(111)-(3x3)-K-3H2O-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-337.98660827; eV
	9-Nov-2018	/noDisp/metal_frag sin-cro3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-312.6425513; Eh
	9-Nov-2018	/noDisp/metal_frag sin-znch3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-266.7493911; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3rhh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-901.4558221; Eh
	9-Nov-2018	/vacuum/complexes h2sZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2747.91148298; Eh
	9-Nov-2018	/vacuum/complexes h2swco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1033.30820331; Eh
	9-Nov-2018	/vacuum/complexes h2sznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-666.200598147; Eh

Results 23261-23270 of 103529 (Search time: 0.015 seconds).