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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-sime3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-725.3699481; Eh
	9-Nov-2018	/noDisp/complexes sin-scnaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2007.5899269; Eh
	9-Nov-2018	/vacuum/complexes h2sptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1018.11688688; Eh
	9-Nov-2018	/noDisp/complexes sin-shincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1321.2118602; Eh
	9-Nov-2018	/noDisp/complexes sin-orhh2o5_new2_fix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-567.6820135; Eh
	6-Aug-2020	/freq/interactions/Co Cl_1	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-261.95647589; eV
	13-Apr-2023	/CO2-activation-3H2O Pt(111)-(3x3)-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-291.06773003; eV
	9-Nov-2018	/noDisp/complexes sin-sime3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1313.3686496; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.1736331; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2032.6097179; Eh

Results 14831-14840 of 104583 (Search time: 0.011 seconds).