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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Feb-2018	Br-spiroC5-TS4d	Ni, Shaofei	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.81869150; Eh
	27-Feb-2018	K-Br-C6-2THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2979.16482608; Eh
	27-Feb-2018	K-Br-C4-2THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2900.54288934; Eh
	2-Aug-2018	MDsnap_dimer2_2780	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.35265627; eV
	2-Aug-2018	MDsnap_dimer2_2640	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.72066774; eV
	2-Aug-2018	MDsnap_dimer2_2560	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.20876377; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(30,33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.87700893; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(30,32)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-857.48068949; eV
	27-Feb-2018	K-I-C6-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3210.00861591; Eh
	27-Feb-2018	K-I-C5-1THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2705.65027608; Eh

Results 11571-11580 of 104593 (Search time: 0.01 seconds).