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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
29-Jul-2021	i211101+i121102-i33210e+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-174.21326860; eV
29-Jul-2021	i211101+i121101-i332201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-175.38445854; eV
29-Jul-2021	i211101+i110101-i321102+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-164.06924065; eV
2-Mar-2021	/Molybdenum/Mo6O20_1H Mo6O20_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
2-Mar-2021	/Molybdenum/Mo2O7_2H Mo2O7_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
2-Mar-2021	/Molybdenum/Mo4O18_8H Mo4O18_8H	Petrus, Enric	ADF; 2019	Single point	PBE	TZP	-
29-Jul-2021	Ta7O22_0H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-10.40665875; Eh
1-Oct-2021	Cu_F_9BBN_Cy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3474.78358033; Eh
1-Jun-2022	Pt_3xN6	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1324.51967029; eV
6-Jun-2021	/surfaces Pd(111)-1In-surf-1In-NSA	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-314.86573046; eV

Results 58411-58420 of 104126 (Search time: 0.035 seconds).