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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom138_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5221216; Eh
	25-Jun-2024	/Intermediates/Zn/10m11 H2N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	11-May-2018	/metastable1h2o_with_lithium NB10_Li_C2_BHCLOSE_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2798.46715164; Eh
	11-May-2018	/metastable1h2o_with_lithium NB10_Li_C2_BHOPEN_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2798.47882209; Eh
	11-May-2018	/positionsp1p2p3 NB10_Cs_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2697.49015850; Eh
	11-May-2018	/positionsp1p2p3 NB10_K_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2705.65015424; Eh
	8-May-2019	/MnN4-O MnN4-O-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-659.05412789; eV
	2-Aug-2018	MDsnap_trimer1_600	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.41488202; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_metal_ads TDA_ads_Ag_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-304.30598850; eV
	12-Feb-2019	sa-RuNi-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-427.04777151; eV

Results 12621-12630 of 104079 (Search time: 0.011 seconds).