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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Mar-2018	PPh3	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	PBE	-	-222.65440578; eV
	15-Oct-2018	2_6-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.82207693; Eh
	15-Oct-2018	3_2-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.82385699; Eh
	22-Aug-2018	/ads_sn2_Co_Cu1 sn2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-483.76426979; eV
	22-Aug-2018	/ads_sn2_Co_Cu1 slab	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-433.98136627; eV
	22-Aug-2018	/ads_sn2_Co_Cu1 is	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-484.52535503; eV
	27-Mar-2018	C-PPh3	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Geometry optimization	PBE	-	-729.09563407; eV
	22-Feb-2020	IX_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.2202819; Eh
	22-Aug-2018	/ads_sn2_Co_Cu2 bh3nh3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-568.67962537; eV
	22-Aug-2018	/ads_sn2_Co_Cu2 ch3oh	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-561.82583541; eV

Results 16901-16910 of 104512 (Search time: 0.01 seconds).