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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2017	/Gas_Geometries G4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	-	-	-153.74103648; eV
17-Oct-2017	/Gas_Geometries E	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	-	-	-260.00269093; eV
17-Oct-2017	/Gas_Geometries G7	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-162.15483202; eV
17-Oct-2017	/Gas_Geometries G8	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-168.75970212; eV
17-Oct-2017	/Gas_Geometries G2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-153.68094671; eV
17-Oct-2017	/Gas_Geometries G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-160.79311031; eV
17-Oct-2017	/Gas_Geometries D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-266.66446596; eV
12-Feb-2019	sa-CuAu-2314	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-206.51499402; eV
1-Dec-2017	/Racemization/Scan1 Scan1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.270240836; Eh
11-Apr-2021	/N_sulfonylguanidine n2-i5-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.93673831; Eh

Results 2831-2840 of 106051 (Search time: 0.007 seconds).