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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-ohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-251.9429745; Eh
	18-May-2018	C4-noCO	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Frequencies	PBE	-	-1094.46817352; eV
	8-May-2017	Ru-3-28	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-355.73405178; eV
	8-May-2017	Ru-4-21	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-352.47256058; eV
	8-May-2017	Pd-6-04	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-275.46695506; eV
	8-May-2017	Pt-1411	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex	Geometry optimization	-	-	-313.48910158; eV
	8-May-2017	Pd-2121	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-276.56933826; eV
	22-May-2018	Phenylphospholane_Toluene_373K	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-730.213305205; Eh
	9-Nov-2018	/vacuum/complexes ofenoZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2578.56146391; Eh
	19-May-2016	Ag2O-ts3	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-347.94806860; eV

Results 10261-10270 of 104079 (Search time: 0.008 seconds).