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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3nh2-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G*	-107.353326036; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/Scan/Zoom/Zoom/2D/FAIL FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	6-311G(D,P)	-456.868928909; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/TS/From2D18 From2D18	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311G(D,P)	-456.750264008; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/Scan/Zoom/Zoom/2D 2D	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311G(D,P)	-456.776199092; Eh
	6-Aug-2020	/freq/intermediates/Cu/CCl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-145.15855404; eV
	21-Apr-2021	_Fe3_CO_TS4	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1994.53319469; eV
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_9_(S)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB2PLYP-FC	DEF2TZV	-1407.9985042; Eh
	3-Oct-2019	thf_set_Brpdpme32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.69453082; Eh
	3-Oct-2019	gas_set_Brpdpme32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.67602996; Eh
	3-Oct-2019	dmf_set_Brpdpme32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.69863176; Eh

Results 34911-34920 of 103542 (Search time: 0.022 seconds).