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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 nh2wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-689.935126168; Eh
	27-Feb-2018	I-C5-TS1	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2211.81633783; Eh
	27-Feb-2018	I-R6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-285.950682802; Eh
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(29,35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.07836647; eV
	12-Feb-2019	sa-RhCd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-334.55283995; eV
	27-Feb-2018	K-I-C6-3THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3209.82522731; Eh
	27-Feb-2018	spiroC5-TS3	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2664.75021478; Eh
	27-Feb-2018	K-Br-C6-0THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2514.21333783; Eh
	27-Feb-2018	Br-spiro-R5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-479.673092982; Eh
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.32541942; eV

Results 13481-13490 of 103542 (Search time: 0.011 seconds).