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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/III_Cl_Cpstar III_Cl_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1663.34987970; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSCH2 TSCH2_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1688.7792449; Eh
	5-May-2020	4T-red-CO₂-site-9	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1863.54524624; eV
	1-Sep-2023	TSAB-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1982.8601183; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_1_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07673551; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_3_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07394464; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_2_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07722161; Eh
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-Au-CO-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-285.16363274; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-314.00286489; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S11 S11	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-983.937227898; Eh

Results 34481-34490 of 103542 (Search time: 0.021 seconds).