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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes pcl3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-3412.20781076; Eh
	12-Dec-2016	/Zn2Al12 Al12Zn2	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-20.64036361; Eh
	28-Nov-2017	ss-PtZn-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-268.85188616; eV
	31-Jul-2015	/Butylamine/Catalyzed/Water/1_Water/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-671.796785469; Eh
	31-Jul-2015	/CCSD_T/Butylamine/Water_Catalyzed/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RCCSD	-	-744.094646879; Eh
	31-Jul-2015	/Butylamine/Uncatalyzed/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-595.303333233; Eh
	28-Nov-2017	ss-PtRu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-352.61633863; eV
	28-Nov-2017	ss-CuRe-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-298.90184992; eV
	28-Nov-2017	ss-PtRh-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-307.29748611; eV
	28-Nov-2017	ss-PtRh-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-297.24831698; eV

Results 5841-5850 of 103083 (Search time: 0.006 seconds).