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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	dmf_set_Brpdpme3trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3160.55261342; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSII_III/NBO TSII_III_NBO	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1007.1650585; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S29 S29_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1394.8930628; Eh
	3-Oct-2019	dmf_set_Brpdph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3385.73494298; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-4811-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-324.25322942; eV
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_0_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07446099; Eh
	26-Nov-2021	/Optimized_Structures Molecule_(R)-2,3-allenol	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	DEF2TZV	-1407.07437137; Eh
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-CO-CH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-356.45092109; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-COCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-314.14893022; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-Au-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-274.52483234; eV

Results 34471-34480 of 103542 (Search time: 0.049 seconds).