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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-298.88084436; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-285.78644039; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/KIE_110/TS_H_Cpstar_II_III TS_H_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1164.7029069; Eh
	3-Oct-2019	gas_set1_PhBrpdpf32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-4213.03754841; Eh
	3-Oct-2019	gas_set_Brpdpme32trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.67842070; Eh
	3-Oct-2019	thf_set_Brpdpph3cis	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3735.75740508; Eh
	3-Oct-2019	gas_set_Brpdph32trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3385.71243567; Eh
	6-Aug-2020	/freq/intermediates/Cu/CF fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-146.72664818; eV
	6-May-2019	CP-3Pd-i30	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1135.32883036; eV
	6-May-2019	CP-3Pd-i31	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1120.40609077; eV

Results 34531-34540 of 103542 (Search time: 0.043 seconds).