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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_(32,33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	DFT	-	-855.50482324; eV
	27-Feb-2018	Na-Br-C5-0THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2609.03227695; Eh
	27-Feb-2018	Na-Br-C5-3THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3306.45918508; Eh
	27-Feb-2018	K-Br-C5-0THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2474.95650276; Eh
	27-Feb-2018	Br-C5-I3	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2213.62371154; Eh
	8-Nov-2018	/water/complexes aq-ohircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-979.9572595; Eh
	27-Feb-2018	K-I-C5-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3170.58581536; Eh
	27-Feb-2018	I-C6-I4	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2251.18053170; Eh
	2-Aug-2018	MDsnap_dimer2_2920	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.82372441; eV
	2-Aug-2018	MDsnap_dimer2_2960	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.62009092; eV

Results 13411-13420 of 103542 (Search time: 0.011 seconds).