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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S20 S20_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1959.8369719; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1u 1u_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-590.5639566; Eh
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBE-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-20.81609302; eV
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_9_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07256916; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_6_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07512313; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_8_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07387050; Eh
	26-Nov-2021	/Optimized_Structures Molecule_(S)-2,3-allenol	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	DEF2TZV	-1407.07476352; Eh
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-340.66864855; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-324.31967923; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-328.06096537; eV

Results 34491-34500 of 103542 (Search time: 0.021 seconds).