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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.40167436; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(31,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	DFT	-	-856.21113493; eV
	27-Feb-2018	K-Br-C4-1THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2668.05886947; Eh
	27-Feb-2018	K-Br-C4-1THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2668.07171164; Eh
	27-Feb-2018	K-Br-C5-3THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3172.32815084; Eh
	8-Nov-2018	/water/complexes aq-ohmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1340.5395883; Eh
	8-Nov-2018	/water/complexes aq-ohnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-356.8057505; Eh
	2-Aug-2018	MDsnap_dimer1_1640	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.14628155; eV
	2-Aug-2018	MDsnap_dimer2_3000	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2218.70641761; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(31,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.54111933; eV

Results 13401-13410 of 103542 (Search time: 0.01 seconds).